benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate

C17H26N2O2 — CID 141177853

IUPACbenzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
SMILESN[C@H](CCNC(=O)OCc1ccccc1)CC1CCCC1
InChIInChI=1S/C17H26N2O2/c18-16(12-14-6-4-5-7-14)10-11-19-17(20)21-13-15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13,18H2,(H,19,20)/t16-/m1/s1
InChIKeyPSTZFVIUZGCTOV-MRXNPFEDSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds7

About benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate

benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate (PubChem CID 141177853) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
PubChem CID141177853
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namebenzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate
SMILESN[C@H](CCNC(=O)OCc1ccccc1)CC1CCCC1
InChIInChI=1S/C17H26N2O2/c18-16(12-14-6-4-5-7-14)10-11-19-17(20)21-13-15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13,18H2,(H,19,20)/t16-/m1/s1
InChIKeyPSTZFVIUZGCTOV-MRXNPFEDSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
CID 153495639
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate?
The IUPAC name of benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate (CID 141177853) is benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate?
The canonical SMILES for benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate is N[C@H](CCNC(=O)OCc1ccccc1)CC1CCCC1.
What is the InChIKey of benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate?
The InChIKey is PSTZFVIUZGCTOV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16(12-14-6-4-5-7-14)10-11-19-17(20)21-13-15-8-2-1-3-9-15/h1-3,8-9,14,16H,4-7,10-13,18H2,(H,19,20)/t16-/m1/s1.
What are the key properties of benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate?
benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-3-amino-4-cyclopentylbutyl]carbamate is sourced from PubChem (CID 141177853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).