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

C19H20N2O5 — CID 5144820

IUPAC2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c1-26-15-9-7-13(8-10-15)11-16(19(25)20-12-17(22)23)21-18(24)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWWVGHEMMAGMLPE-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.24
Rot. Bonds8

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

2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid (PubChem CID 5144820) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid
PubChem CID5144820
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid
SMILESCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1
InChIInChI=1S/C19H20N2O5/c1-26-15-9-7-13(8-10-15)11-16(19(25)20-12-17(22)23)21-18(24)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyWWVGHEMMAGMLPE-UHFFFAOYSA-N
XLogP1.24
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid (CID 5144820) is 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid is COc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid?
The InChIKey is WWVGHEMMAGMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-26-15-9-7-13(8-10-15)11-16(19(25)20-12-17(22)23)21-18(24)14-5-3-2-4-6-14/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-methoxyphenyl)propanoyl]amino]acetic acid?
2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-benzamido-3-(4-methoxyphenyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 5144820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).