2,2-dibenzamidoacetic acid

C16H14N2O4 — CID 12521150

IUPAC2,2-dibenzamidoacetic acid
SMILESO=C(NC(NC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H14N2O4/c19-14(11-7-3-1-4-8-11)17-13(16(21)22)18-15(20)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H,18,20)(H,21,22)
InChIKeyUPZHESZQHMDXRC-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.26
Rot. Bonds5

About 2,2-dibenzamidoacetic acid

2,2-dibenzamidoacetic acid (PubChem CID 12521150) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2,2-dibenzamidoacetic acid.

Molecular Properties

Compound Name2,2-dibenzamidoacetic acid
PubChem CID12521150
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2,2-dibenzamidoacetic acid
SMILESO=C(NC(NC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H14N2O4/c19-14(11-7-3-1-4-8-11)17-13(16(21)22)18-15(20)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H,18,20)(H,21,22)
InChIKeyUPZHESZQHMDXRC-UHFFFAOYSA-N
XLogP1.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
CID 68891597
CID 68891597
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
2-benzamido-4-oxobutanoic acid
CID 19361902
N-(1-methoxypropyl)benzamide
CID 102478557
(1S)-1-benzamido-2,2,2-trichloroethanesulfonate
CID 2252685

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzamidoacetic acid?
The IUPAC name of 2,2-dibenzamidoacetic acid (CID 12521150) is 2,2-dibenzamidoacetic acid.
What is the SMILES notation for 2,2-dibenzamidoacetic acid?
The canonical SMILES for 2,2-dibenzamidoacetic acid is O=C(NC(NC(=O)c1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of 2,2-dibenzamidoacetic acid?
The InChIKey is UPZHESZQHMDXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-14(11-7-3-1-4-8-11)17-13(16(21)22)18-15(20)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2,2-dibenzamidoacetic acid?
2,2-dibenzamidoacetic acid has a molecular weight of 298.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzamidoacetic acid is sourced from PubChem (CID 12521150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).