3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid

C16H22N2O3 — CID 61193959

IUPAC3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(C(=O)NC(CC(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-18(13-9-5-6-10-13)16(21)17-14(11-15(19)20)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyVADBYHPLQUFWSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds5

About 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid

3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid (PubChem CID 61193959) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
PubChem CID61193959
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(C(=O)NC(CC(=O)O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-18(13-9-5-6-10-13)16(21)17-14(11-15(19)20)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyVADBYHPLQUFWSX-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic 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

1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
3-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448954
3-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1-methyl-1-(oxan-4-yl)urea
CID 126448953
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid (CID 61193959) is 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid is CN(C(=O)NC(CC(=O)O)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid?
The InChIKey is VADBYHPLQUFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(13-9-5-6-10-13)16(21)17-14(11-15(19)20)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid?
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 61193959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).