2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid

C13H22N2O3 — CID 64618033

IUPAC2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCC2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-11-8-15(9-11)13(18)14-6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyVNJBTCHDAOZOFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 64618033) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID64618033
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NCCC2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)7-11-8-15(9-11)13(18)14-6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyVNJBTCHDAOZOFS-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic 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-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
N-(2-cyclopentylethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 55808732
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
2-[4-(2-cyclopentylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61205575
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid (CID 64618033) is 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)NCCC2CCCC2)C1.
What is the InChIKey of 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is VNJBTCHDAOZOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)7-11-8-15(9-11)13(18)14-6-5-10-3-1-2-4-10/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).