2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid

C21H24N2O4 — CID 120543509

IUPAC2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
SMILESCC(NC(=O)C1CCCC1)C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c1-13(22-20(25)15-7-3-4-8-15)19(24)23-18(21(26)27)17-11-10-14-6-2-5-9-16(14)12-17/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDZFQYVBGXKYNHE-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.78
Rot. Bonds6

About 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid

2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid (PubChem CID 120543509) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
PubChem CID120543509
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
SMILESCC(NC(=O)C1CCCC1)C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c1-13(22-20(25)15-7-3-4-8-15)19(24)23-18(21(26)27)17-11-10-14-6-2-5-9-16(14)12-17/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyDZFQYVBGXKYNHE-UHFFFAOYSA-N
XLogP2.78
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic 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-naphthalen-2-yl-2-(oxane-2-carbonylamino)acetic acid
CID 120543519
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543523
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543590
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-(1-naphthalen-2-ylethylamino)-N-propan-2-ylpropanamide
CID 115571851
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid (CID 120543509) is 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid is CC(NC(=O)C1CCCC1)C(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid?
The InChIKey is DZFQYVBGXKYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(22-20(25)15-7-3-4-8-15)19(24)23-18(21(26)27)17-11-10-14-6-2-5-9-16(14)12-17/h2,5-6,9-13,15,18H,3-4,7-8H2,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid?
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid has a molecular weight of 368.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).