3-[2-(carboxymethyl)cyclopentyl]propanoic acid

C10H16O4 — CID 13359518

IUPAC3-[2-(carboxymethyl)cyclopentyl]propanoic acid
SMILESO=C(O)CCC1CCCC1CC(=O)O
InChIInChI=1S/C10H16O4/c11-9(12)5-4-7-2-1-3-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVECPYWLSTVBNEW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds5

About 3-[2-(carboxymethyl)cyclopentyl]propanoic acid

3-[2-(carboxymethyl)cyclopentyl]propanoic acid (PubChem CID 13359518) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[2-(carboxymethyl)cyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(carboxymethyl)cyclopentyl]propanoic acid
PubChem CID13359518
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-[2-(carboxymethyl)cyclopentyl]propanoic acid
SMILESO=C(O)CCC1CCCC1CC(=O)O
InChIInChI=1S/C10H16O4/c11-9(12)5-4-7-2-1-3-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyVECPYWLSTVBNEW-UHFFFAOYSA-N
XLogP1.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(carboxymethyl)cyclopentyl]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

2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-[2-(2-carboxyethyl)-3-methylcyclohexyl]propanoic acid;bis(2-[2-(2-hydroperoxyethyl)cyclohexyl]acetic acid);molecular hydrogen
CID 161249306
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
2-[2-(aminomethyl)cyclobutyl]acetic acid
CID 129286668
2-[(2R)-2-formylcyclopentyl]acetic acid
CID 130646280
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
3-(2-aminooxan-3-yl)propanoic acid
CID 141000194
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
3-(2-bromocyclopropyl)propanoic acid
CID 150783249

Frequently Asked Questions

What is the IUPAC name of 3-[2-(carboxymethyl)cyclopentyl]propanoic acid?
The IUPAC name of 3-[2-(carboxymethyl)cyclopentyl]propanoic acid (CID 13359518) is 3-[2-(carboxymethyl)cyclopentyl]propanoic acid.
What is the SMILES notation for 3-[2-(carboxymethyl)cyclopentyl]propanoic acid?
The canonical SMILES for 3-[2-(carboxymethyl)cyclopentyl]propanoic acid is O=C(O)CCC1CCCC1CC(=O)O.
What is the InChIKey of 3-[2-(carboxymethyl)cyclopentyl]propanoic acid?
The InChIKey is VECPYWLSTVBNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)5-4-7-2-1-3-8(7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(carboxymethyl)cyclopentyl]propanoic acid?
3-[2-(carboxymethyl)cyclopentyl]propanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(carboxymethyl)cyclopentyl]propanoic acid is sourced from PubChem (CID 13359518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).