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CAS 1083181-22-9 CYCLOPROPANECARBOXYLIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]- molecular structure lightbox
CAS RN: 1083181-22-9

CYCLOPROPANECARBOXYLIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100mg In stock Shanghai Inquiry
Batchno.20260202 1g In stock Shanghai Inquiry
Batchno.20250604 250mg In stock Shanghai Inquiry
Batchno.20250204 50mg In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai Inquiry
  • Product code: SSC-009677
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1083181-22-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1083181-22-9 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid | 2-(((tert-butoxy)carbonyl)amino)cyclopropane-1-carboxylic acid | RefChem:447183

Standard CAS: 1083181-22-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083181-22-9
Multi CAS
Yes
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
SMILES
CC(C)(C)OC(=O)NC1CC1C(=O)O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
NOZMNADEEKQWGO-UHFFFAOYSA-N
Synonyms
2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid 2-(((tert-butoxy)carbonyl)amino)cyclopropane-1-carboxylic acid RefChem:447183 822-561-8 2-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.9
TPSA
75.63

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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