2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid

C22H25NO5 — CID 14557724

IUPAC2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(=O)NC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H25NO5/c24-20(11-12-21(25)26)23-19(14-17-9-5-2-6-10-17)15-18(22(27)28)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyJMXUCPBUINCOSV-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.91
Rot. Bonds11

About 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid

2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid (PubChem CID 14557724) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid
PubChem CID14557724
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(=O)NC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H25NO5/c24-20(11-12-21(25)26)23-19(14-17-9-5-2-6-10-17)15-18(22(27)28)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,24)(H,25,26)(H,27,28)
InChIKeyJMXUCPBUINCOSV-UHFFFAOYSA-N
XLogP2.91
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The IUPAC name of 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid (CID 14557724) is 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid is O=C(O)CCC(=O)NC(Cc1ccccc1)CC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
The InChIKey is JMXUCPBUINCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c24-20(11-12-21(25)26)23-19(14-17-9-5-2-6-10-17)15-18(22(27)28)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid?
2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid has a molecular weight of 383.44 g/mol, XLogP of 2.91, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-carboxypropanoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 14557724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).