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CAS 1613721-23-5 tert-butyl (S)-3-amino-3-methylpyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1613721-23-5

tert-butyl (S)-3-amino-3-methylpyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-069075
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1613721-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

1613721-23-5 / tert-butyl (3S)-3-amino-3-methylpyrrolidine-1-carboxylate

Standard CAS: 1613721-23-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1613721-23-5
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
SMILES
C[C@@]1(CCN(C1)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C10H20N2O2/c1-9(2,3)14-8(13)12-6-5-10(4,11)7-12/h5-7,11H2,1-4H3/t10-/m0/s1
InChIKey
KYRWEDDXBNZACB-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.02
TPSA
55.56

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
0.6
Consensus LogP
1.04
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.99

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)
Corrosive Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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