4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid

C31H33NO5 — CID 123833708

IUPAC4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid
SMILESO=C(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC1(CC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C31H33NO5/c33-28(34)20-27(19-23-13-15-26(16-14-23)25-11-5-2-6-12-25)30(36)32-31(17-7-8-18-31)21-29(35)37-22-24-9-3-1-4-10-24/h1-6,9-16,27H,7-8,17-22H2,(H,32,36)(H,33,34)
InChIKeyGKMULZDHZHNLEW-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.55
Rot. Bonds11

About 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid

4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid (PubChem CID 123833708) has the molecular formula C31H33NO5 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid
PubChem CID123833708
Molecular FormulaC31H33NO5
Molecular Weight499.61 g/mol
Exact Mass499.24
IUPAC Name4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid
SMILESO=C(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC1(CC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C31H33NO5/c33-28(34)20-27(19-23-13-15-26(16-14-23)25-11-5-2-6-12-25)30(36)32-31(17-7-8-18-31)21-29(35)37-22-24-9-3-1-4-10-24/h1-6,9-16,27H,7-8,17-22H2,(H,32,36)(H,33,34)
InChIKeyGKMULZDHZHNLEW-UHFFFAOYSA-N
XLogP5.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic 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

benzyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240649
2-[(4-methoxyphenyl)methyl]-3-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 141332203
2-(2-oxo-2-phenylmethoxyethyl)butanedioic acid
CID 22986863
benzyl 2-[1-(dihydroxymethyl)cyclopentyl]acetate
CID 123352150
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylpent-4-enoate
CID 6606851
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylhex-5-enoate
CID 6606855
[1-[[(2S)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2S)-2-benzylpent-4-enoate
CID 135739149
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
[1-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylhex-5-enoate
CID 6606831
[1-[2-[2-[[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]pent-4-enoylamino]cyclopentyl]methyl 2-benzylhept-6-enoate
CID 4088412

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid?
The IUPAC name of 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid (CID 123833708) is 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid?
The canonical SMILES for 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid is O=C(O)CC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC1(CC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid?
The InChIKey is GKMULZDHZHNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO5/c33-28(34)20-27(19-23-13-15-26(16-14-23)25-11-5-2-6-12-25)30(36)32-31(17-7-8-18-31)21-29(35)37-22-24-9-3-1-4-10-24/h1-6,9-16,27H,7-8,17-22H2,(H,32,36)(H,33,34).
What are the key properties of 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid?
4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid has a molecular weight of 499.61 g/mol, XLogP of 5.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[1-(2-oxo-2-phenylmethoxyethyl)cyclopentyl]amino]-3-[(4-phenylphenyl)methyl]butanoic acid is sourced from PubChem (CID 123833708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).