2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid

C17H16N2O4 — CID 132917045

IUPAC2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
SMILESO=C(CNC(=O)c1ccccc1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c20-14(11-18-16(21)13-9-5-2-6-10-13)19-15(17(22)23)12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyQIURZJPPLLLBSX-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.36
Rot. Bonds6

About 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid

2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid (PubChem CID 132917045) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
PubChem CID132917045
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
SMILESO=C(CNC(=O)c1ccccc1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c20-14(11-18-16(21)13-9-5-2-6-10-13)19-15(17(22)23)12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyQIURZJPPLLLBSX-UHFFFAOYSA-N
XLogP1.36
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid (CID 132917045) is 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid is O=C(CNC(=O)c1ccccc1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid?
The InChIKey is QIURZJPPLLLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-14(11-18-16(21)13-9-5-2-6-10-13)19-15(17(22)23)12-7-3-1-4-8-12/h1-10,15H,11H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid?
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid has a molecular weight of 312.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 132917045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).