2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid

C19H20N2O4 — CID 2897827

IUPAC2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyRTSMBLLZBBYZQP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.62
Rot. Bonds7

About 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid

2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid (PubChem CID 2897827) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid
PubChem CID2897827
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyRTSMBLLZBBYZQP-UHFFFAOYSA-N
XLogP1.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid (CID 2897827) is 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid is CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid?
The InChIKey is RTSMBLLZBBYZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(19(24)25)20-18(23)16(12-14-8-4-2-5-9-14)21-17(22)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid?
2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamido-3-phenylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 2897827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).