2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid

C12H16N2O4 — CID 110463513

IUPAC2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)c1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-8(10)11(16)13-9(7-15)12(17)18/h3-6,9,15H,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGAGHRYICAJFRBN-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.07
Rot. Bonds5

About 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid

2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid (PubChem CID 110463513) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
PubChem CID110463513
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)c1ccccc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-8(10)11(16)13-9(7-15)12(17)18/h3-6,9,15H,7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyGAGHRYICAJFRBN-UHFFFAOYSA-N
XLogP-0.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
CID 656417
2-[[2-(aminomethyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 82547100
3-hydroxy-2-[[2-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid
CID 18717058
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 3102731
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110463483
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107949365
2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-hydroxypropanoic acid
CID 43614580
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid (CID 110463513) is 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid is CN(C)c1ccccc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
The InChIKey is GAGHRYICAJFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-8(10)11(16)13-9(7-15)12(17)18/h3-6,9,15H,7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid?
2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)benzoyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 110463513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).