3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H14N2O4 — CID 66174920

IUPAC3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h2-5,17H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyFAGKLEUGJQHXCY-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.17
Rot. Bonds4

About 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174920) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174920
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccccc1N)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h2-5,17H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyFAGKLEUGJQHXCY-UHFFFAOYSA-N
XLogP-0.17
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
2-hydroxy-2-methyl-3-[(2-phenylsulfanylbenzoyl)amino]propanoic acid
CID 154862376
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 66173597
3-[(2,4-dihydroxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172176
2-amino-N-dodecylbenzamide
CID 54099396

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174920) is 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccccc1N)C(=O)O.
What is the InChIKey of 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is FAGKLEUGJQHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h2-5,17H,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).