2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid

C13H23NO3 — CID 119225381

IUPAC2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
SMILESCCC(CC1CCCC1)C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-11(8-10-6-4-5-7-10)12(15)14-9(2)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNRCXOIMIEYPZCM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid

2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid (PubChem CID 119225381) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
PubChem CID119225381
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
SMILESCCC(CC1CCCC1)C(=O)NC(C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-11(8-10-6-4-5-7-10)12(15)14-9(2)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNRCXOIMIEYPZCM-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(cyclopentylmethyl)butanoylamino]propanoic 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

(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
2-[[(2S,3R)-3-acetamido-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoic acid
CID 20660241
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
2-(cyclopentylmethyl)-N-pyrrolidin-3-ylbutanamide
CID 119449890
2-(2-methylbutanoylamino)propanoic acid
CID 14758658

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid?
The IUPAC name of 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid (CID 119225381) is 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid is CCC(CC1CCCC1)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid?
The InChIKey is NRCXOIMIEYPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-11(8-10-6-4-5-7-10)12(15)14-9(2)13(16)17/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid?
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid is sourced from PubChem (CID 119225381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).