3-amino-2-cyclopentylbutanoic acid

C9H17NO2 — CID 131138399

IUPAC3-amino-2-cyclopentylbutanoic acid
SMILESCC(N)C(C(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c1-6(10)8(9(11)12)7-4-2-3-5-7/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyYQCQKXLZAIOAMQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds3

About 3-amino-2-cyclopentylbutanoic acid

3-amino-2-cyclopentylbutanoic acid (PubChem CID 131138399) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-2-cyclopentylbutanoic acid.

Molecular Properties

Compound Name3-amino-2-cyclopentylbutanoic acid
PubChem CID131138399
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-amino-2-cyclopentylbutanoic acid
SMILESCC(N)C(C(=O)O)C1CCCC1
InChIInChI=1S/C9H17NO2/c1-6(10)8(9(11)12)7-4-2-3-5-7/h6-8H,2-5,10H2,1H3,(H,11,12)
InChIKeyYQCQKXLZAIOAMQ-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-cyclopentylbutanoic acid 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

2,3-dicyclopentylbutanedioic acid
CID 141323160
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
(2R,3S)-2-cyclohexyl-3-hydroxybutanoic acid
CID 14660744
2-cyclopentyl-4-hydroxy-3-methylpentanoic acid
CID 112569249
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
2-aminopropanoic acid;methylcyclohexane
CID 145362127
2-cyclopentyl-3-hydroxypentanoic acid
CID 141134348
2-cyclopentyl-3-methylbutanedioic acid;N-ethylethanamine
CID 174671046
4-amino-3-cyclopentylpentanoic acid
CID 66096453
2,3-dicyclohexylbutanedioic acid;N-ethylethanamine
CID 174659539
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
2-amino-5-cyclobutyl-4-methylhexanoic acid
CID 174468126

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentylbutanoic acid?
The IUPAC name of 3-amino-2-cyclopentylbutanoic acid (CID 131138399) is 3-amino-2-cyclopentylbutanoic acid.
What is the SMILES notation for 3-amino-2-cyclopentylbutanoic acid?
The canonical SMILES for 3-amino-2-cyclopentylbutanoic acid is CC(N)C(C(=O)O)C1CCCC1.
What is the InChIKey of 3-amino-2-cyclopentylbutanoic acid?
The InChIKey is YQCQKXLZAIOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(10)8(9(11)12)7-4-2-3-5-7/h6-8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-cyclopentylbutanoic acid?
3-amino-2-cyclopentylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentylbutanoic acid is sourced from PubChem (CID 131138399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).