4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid

C24H29NO5 — CID 14557712

IUPAC4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid
SMILESO=C(O)CCNC(=O)C(CCc1ccccc1)CC(CCc1ccccc1)C(=O)O
InChIInChI=1S/C24H29NO5/c26-22(27)15-16-25-23(28)20(13-11-18-7-3-1-4-8-18)17-21(24(29)30)14-12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyCSNTXZULZKKKHM-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.55
Rot. Bonds13

About 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid

4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid (PubChem CID 14557712) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid.

Molecular Properties

Compound Name4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid
PubChem CID14557712
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid
SMILESO=C(O)CCNC(=O)C(CCc1ccccc1)CC(CCc1ccccc1)C(=O)O
InChIInChI=1S/C24H29NO5/c26-22(27)15-16-25-23(28)20(13-11-18-7-3-1-4-8-18)17-21(24(29)30)14-12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,25,28)(H,26,27)(H,29,30)
InChIKeyCSNTXZULZKKKHM-UHFFFAOYSA-N
XLogP3.55
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic 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-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphanyl]methyl]pentanedioic acid
CID 139457437
3-[[(2R)-2-benzyl-3-methylbutanoyl]amino]propanoic acid
CID 124682272
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
3-[[2-(3,3-diphenylpropyl)benzoyl]amino]propanoic acid
CID 68910081
4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
CID 11572902
2-[[[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-hydroxyphosphoryl]oxymethyl]-4-phenylbutanoic acid
CID 89085883
4-amino-4-oxo-2-(2-phenylethyl)butanoic acid
CID 67288843
2-[2-(4-chlorophenyl)ethyl]-4-phenylbutanoic acid
CID 70553032
3-[[(2S)-2-[[methoxy(2-phenylethyl)phosphoryl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 54260175

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid?
The IUPAC name of 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid (CID 14557712) is 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid.
What is the SMILES notation for 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid?
The canonical SMILES for 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid is O=C(O)CCNC(=O)C(CCc1ccccc1)CC(CCc1ccccc1)C(=O)O.
What is the InChIKey of 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid?
The InChIKey is CSNTXZULZKKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c26-22(27)15-16-25-23(28)20(13-11-18-7-3-1-4-8-18)17-21(24(29)30)14-12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid?
4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid has a molecular weight of 411.50 g/mol, XLogP of 3.55, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyethylcarbamoyl)-6-phenyl-2-(2-phenylethyl)hexanoic acid is sourced from PubChem (CID 14557712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).