2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 64814365

IUPAC2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCNCCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-12-7-3-6-10(14)13-9-5-2-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZICZXMPKIIXCJW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds6

About 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid

2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64814365) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID64814365
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCNCCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-12-7-3-6-10(14)13-9-5-2-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZICZXMPKIIXCJW-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic 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-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241761
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822199
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
CID 64922160
N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid (CID 64814365) is 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid is CNCCCC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZICZXMPKIIXCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-7-3-6-10(14)13-9-5-2-4-8(9)11(15)16/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid?
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).