2-[(4-benzoylbenzoyl)-methylamino]acetic acid

C17H15NO4 — CID 175926821

IUPAC2-[(4-benzoylbenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-18(11-15(19)20)17(22)14-9-7-13(8-10-14)16(21)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyNEIGXESNNUEDQR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.07
Rot. Bonds5

About 2-[(4-benzoylbenzoyl)-methylamino]acetic acid

2-[(4-benzoylbenzoyl)-methylamino]acetic acid (PubChem CID 175926821) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(4-benzoylbenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-benzoylbenzoyl)-methylamino]acetic acid
PubChem CID175926821
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-[(4-benzoylbenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-18(11-15(19)20)17(22)14-9-7-13(8-10-14)16(21)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyNEIGXESNNUEDQR-UHFFFAOYSA-N
XLogP2.07
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N,N-dimethylbenzamide
CID 12779824
2-[methyl-(4-pyridin-2-ylbenzoyl)amino]acetic acid
CID 110464860
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzoylbenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-benzoylbenzoyl)-methylamino]acetic acid (CID 175926821) is 2-[(4-benzoylbenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-benzoylbenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-benzoylbenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-benzoylbenzoyl)-methylamino]acetic acid?
The InChIKey is NEIGXESNNUEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-18(11-15(19)20)17(22)14-9-7-13(8-10-14)16(21)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-[(4-benzoylbenzoyl)-methylamino]acetic acid?
2-[(4-benzoylbenzoyl)-methylamino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzoylbenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 175926821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).