CAS RN: 1187930-91-1
3-Amino-cyclopentanecarboxylic acid ethyl ester
- Product code: SSC-018836
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1187930-91-1 / ethyl 3-aminocyclopentane-1-carboxylate
Ethyl 3-aminocyclopentanecarboxylate | 3-AMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER | ethyl 3-aminocyclopentane-1-carboxylate
Basic Information
CAS
1187930-91-1
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
CCOC(=O)C1CCC(C1)N
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)6-3-4-7(9)5-6/h6-7H,2-5,9H2,1H3
InChIKey
GBSHHLOUZFKHSC-UHFFFAOYSA-N
Synonyms
Ethyl 3-aminocyclopentanecarboxylate
3-AMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER
ethyl 3-aminocyclopentane-1-carboxylate
MFCD12913685
SCHEMBL15748370
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.95
TPSA
52.32
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.4
Consensus LogP
0.56
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1187930-92-2 4-AMINO-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-AMINO-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 1187930-92-2
- Product Code: SSC-018837
-
tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride
- CAS RN: 1187930-99-9
- Product Code: SSC-018838
-
(R)-1-(4-Chlorophenyl)-2,2,2-trifluoroethanaMine dihydrochloride
- CAS RN: 1187931-01-6
- Product Code: SSC-018839
-
CyclopropanaMine, 1-(4-Methoxyphenyl)-, hydrochloride
- CAS RN: 1187931-04-9
- Product Code: SSC-018840
-
2-Amino-1-(3,5-difluoro-phenyl)-ethanone hydrochloride
- CAS RN: 1187931-06-1
- Product Code: SSC-018841
-
BenzeneMethanaMine, 2-broMo-a-Methyl-, hydrochloride, (R)-
- CAS RN: 1187931-17-4
- Product Code: SSC-018842
![CAS 1187930-92-2 4-AMINO-HEXAHYDRO-CYCLOPENTA[C]PYRROLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5178056.gif)
