2-amino-2-benzamidoacetic acid;hydrochloride

C9H11ClN2O3 — CID 174337324

IUPAC2-amino-2-benzamidoacetic acid;hydrochloride
SMILESCl.NC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O3.ClH/c10-7(9(13)14)11-8(12)6-4-2-1-3-5-6;/h1-5,7H,10H2,(H,11,12)(H,13,14);1H
InChIKeyVWNMPYICNYLSGK-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.21
Rot. Bonds3

About 2-amino-2-benzamidoacetic acid;hydrochloride

2-amino-2-benzamidoacetic acid;hydrochloride (PubChem CID 174337324) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-amino-2-benzamidoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-benzamidoacetic acid;hydrochloride
PubChem CID174337324
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-amino-2-benzamidoacetic acid;hydrochloride
SMILESCl.NC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O3.ClH/c10-7(9(13)14)11-8(12)6-4-2-1-3-5-6;/h1-5,7H,10H2,(H,11,12)(H,13,14);1H
InChIKeyVWNMPYICNYLSGK-UHFFFAOYSA-N
XLogP0.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.21
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

(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
2,2-dibenzamidoacetic acid
CID 12521150
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
2-amino-3-benzamido-4-phenylbutanoic acid
CID 12502888
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
2-benzamido-2-propan-2-ylsulfanylacetic acid
CID 24976504
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
2-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
CID 69264462
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-benzamidoacetic acid;hydrochloride?
The IUPAC name of 2-amino-2-benzamidoacetic acid;hydrochloride (CID 174337324) is 2-amino-2-benzamidoacetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-benzamidoacetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-benzamidoacetic acid;hydrochloride is Cl.NC(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-benzamidoacetic acid;hydrochloride?
The InChIKey is VWNMPYICNYLSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.ClH/c10-7(9(13)14)11-8(12)6-4-2-1-3-5-6;/h1-5,7H,10H2,(H,11,12)(H,13,14);1H.
What are the key properties of 2-amino-2-benzamidoacetic acid;hydrochloride?
2-amino-2-benzamidoacetic acid;hydrochloride has a molecular weight of 230.65 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-benzamidoacetic acid;hydrochloride is sourced from PubChem (CID 174337324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).