(2R)-2-amino-2-benzamidoacetic acid

C9H10N2O3 — CID 86334519

IUPAC(2R)-2-amino-2-benzamidoacetic acid
SMILESN[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O3/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)/t7-/m1/s1
InChIKeyJRARHYJPRBTPIT-SSDOTTSWSA-N
MW194.19 g/mol
LogP-0.21
Rot. Bonds3

About (2R)-2-amino-2-benzamidoacetic acid

(2R)-2-amino-2-benzamidoacetic acid (PubChem CID 86334519) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2R)-2-amino-2-benzamidoacetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-benzamidoacetic acid
PubChem CID86334519
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(2R)-2-amino-2-benzamidoacetic acid
SMILESN[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C9H10N2O3/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)/t7-/m1/s1
InChIKeyJRARHYJPRBTPIT-SSDOTTSWSA-N
XLogP-0.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.21
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

2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
2,2-dibenzamidoacetic acid
CID 12521150
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
N-(1-aminoprop-2-enyl)benzamide
CID 69046323
N-(1-amino-2,2-dimethylpropyl)benzamide;hydrochloride
CID 18770587
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-amino-2-[3-(4-benzamidophenyl)propanoylamino]acetic acid
CID 69264462
methyl (2S)-2-benzamidopropanoate
CID 6364617
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
N-(4-aminobutan-2-yl)benzamide
CID 62087210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-benzamidoacetic acid?
The IUPAC name of (2R)-2-amino-2-benzamidoacetic acid (CID 86334519) is (2R)-2-amino-2-benzamidoacetic acid.
What is the SMILES notation for (2R)-2-amino-2-benzamidoacetic acid?
The canonical SMILES for (2R)-2-amino-2-benzamidoacetic acid is N[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-benzamidoacetic acid?
The InChIKey is JRARHYJPRBTPIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10N2O3/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)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-benzamidoacetic acid?
(2R)-2-amino-2-benzamidoacetic acid has a molecular weight of 194.19 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 (2R)-2-amino-2-benzamidoacetic acid is sourced from PubChem (CID 86334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).