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CAS 1140972-29-7 Ethyl (1R,2S)-2-(Boc-amino)cyclopentanecarboxylate molecular structure lightbox
CAS RN: 1140972-29-7

Ethyl (1R,2S)-2-(Boc-amino)cyclopentanecarboxylate

  • Product code: SSC-013988
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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: 0.25g, 5g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1140972-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1140972-29-7 / cis-ethyl (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

ETHYL (1R,2S)-2-(BOC-AMINO)CYCLOPENTANECARBOXYLATE | (1R,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate | MFCD16883074

Standard CAS: 1140972-29-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140972-29-7
Multi CAS
Yes
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO4/c1-5-17-11(15)9-7-6-8-10(9)14-12(16)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)/t9-,10+/m1/s1
InChIKey
MHYUFBHMDDIXTD-ZJUUUORDSA-N
Synonyms
ETHYL (1R,2S)-2-(BOC-AMINO)CYCLOPENTANECARBOXYLATE (1R,2S)-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate MFCD16883074 cis-ethyl 2-(tert-butoxycarbonylamino)cyclopentanecarboxylate cis-Ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.13
TPSA
64.63

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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