3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid

C16H22N2O3 — CID 82759479

IUPAC3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
SMILESCC1(C(=O)NC(CC(=O)O)c2ccccc2)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(9-5-8-13(16)17)15(21)18-12(10-14(19)20)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUKRJKXHLACXSO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds5

About 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid

3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid (PubChem CID 82759479) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
PubChem CID82759479
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
SMILESCC1(C(=O)NC(CC(=O)O)c2ccccc2)CCCC1N
InChIInChI=1S/C16H22N2O3/c1-16(9-5-8-13(16)17)15(21)18-12(10-14(19)20)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyAUKRJKXHLACXSO-UHFFFAOYSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-amino-1-methylcyclopentanecarbonyl)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

2-amino-1-methyl-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 82767340
(2S)-2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82758703
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
2-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
4-amino-N-[2-(dimethylamino)-1-phenylethyl]-3-methyloxolane-3-carboxamide
CID 66250851
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 82768546
3-(N-(2-amino-1-methylcyclopentanecarbonyl)anilino)propanoic acid
CID 82758312
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 82768358
2-[2-[(2-amino-1-methylcyclopentanecarbonyl)amino]ethyl]benzoic acid
CID 82759376
3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
CID 64679597
3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 79854454

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid (CID 82759479) is 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid is CC1(C(=O)NC(CC(=O)O)c2ccccc2)CCCC1N.
What is the InChIKey of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is AUKRJKXHLACXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(9-5-8-13(16)17)15(21)18-12(10-14(19)20)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid?
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 82759479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).