2-benzamidoacetic acid

C9H9NO3 — CID 464

IUPAC2-benzamidoacetic acid
SMILESO=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyQIAFMBKCNZACKA-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds3

About 2-benzamidoacetic acid

2-benzamidoacetic acid (PubChem CID 464) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-benzamidoacetic acid.

Molecular Properties

Compound Name2-benzamidoacetic acid
PubChem CID464
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-benzamidoacetic acid
SMILESO=C(O)CNC(=O)c1ccccc1
InChIInChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKeyQIAFMBKCNZACKA-UHFFFAOYSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p-Aminohippuric acid
CID 2148
Betamipron
CID 71651
N-Methylbenzamide
CID 11954
Phenylacetylglycine
CID 68144
Phenylpropionylglycine
CID 152323
2-Methylhippuric Acid
CID 91637
N-Benzoylaspartic acid
CID 95664
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
N-(2-Iodobenzoyl)glycine
CID 8614
Methyl hippurate
CID 14566
Amylase
CID 71475145

Frequently Asked Questions

What is the IUPAC name of 2-benzamidoacetic acid?
The IUPAC name of 2-benzamidoacetic acid (CID 464) is 2-benzamidoacetic acid.
What is the SMILES notation for 2-benzamidoacetic acid?
The canonical SMILES for 2-benzamidoacetic acid is O=C(O)CNC(=O)c1ccccc1.
What is the InChIKey of 2-benzamidoacetic acid?
The InChIKey is QIAFMBKCNZACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12).
What are the key properties of 2-benzamidoacetic acid?
2-benzamidoacetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidoacetic acid is sourced from PubChem (CID 464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).