2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid

C19H20N2O4 — CID 2939168

IUPAC2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid
SMILESCc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)11-16(19(25)20-12-17(22)23)21-18(24)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWEOMLSDAUCAAES-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.54
Rot. Bonds7

About 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid

2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid (PubChem CID 2939168) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid
PubChem CID2939168
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid
SMILESCc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)11-16(19(25)20-12-17(22)23)21-18(24)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWEOMLSDAUCAAES-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-(4-methylphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid (CID 2939168) is 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid is Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid?
The InChIKey is WEOMLSDAUCAAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-9-14(10-8-13)11-16(19(25)20-12-17(22)23)21-18(24)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of 2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid?
2-[[2-benzamido-3-(4-methylphenyl)propanoyl]amino]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 1.54, 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-(4-methylphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 2939168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).