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CAS 1067239-08-0 1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1067239-08-0

1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid

  • Product code: SSC-008262
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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, 1g, 5g
  • Available purity: ≥95%
  • 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 1067239-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1067239-08-0 / 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

1-[(tert-butoxy)carbonyl]-3-hydroxypyrrolidine-3-carboxylic acid | 1-((Tert-butoxy)carbonyl)-3-hydroxypyrrolidine-3-carboxylic acid | RefChem:419015

Standard CAS: 1067239-08-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1067239-08-0
Multi CAS
Yes
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)O
InChI
InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-5-4-10(15,6-11)7(12)13/h15H,4-6H2,1-3H3,(H,12,13)
InChIKey
XHNNDNBNDDXODX-UHFFFAOYSA-N
Synonyms
1-[(tert-butoxy)carbonyl]-3-hydroxypyrrolidine-3-carboxylic acid 1-((Tert-butoxy)carbonyl)-3-hydroxypyrrolidine-3-carboxylic acid RefChem:419015 858-557-8 1-(tert-butoxycarbonyl)-3-hydroxypyrrolidine-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.01
TPSA
87.07

LogP / Solubility

WLOGP
0.44
MLOGP
0.39
Consensus LogP
0.28
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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