3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid

C12H15NO4 — CID 66165173

IUPAC3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
SMILESCc1cc(C)cc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-7-3-8(2)5-9(4-7)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyOEDZRVCITBPDNT-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.48
Rot. Bonds4

About 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid

3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 66165173) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID66165173
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
SMILESCc1cc(C)cc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-7-3-8(2)5-9(4-7)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyOEDZRVCITBPDNT-UHFFFAOYSA-N
XLogP0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
4-[(3,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 81065212
(2S)-3-[(4-amino-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006812
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
4-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832772
(2S)-2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]propanoic acid
CID 107833494
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid (CID 66165173) is 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid is Cc1cc(C)cc(C(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is OEDZRVCITBPDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7-3-8(2)5-9(4-7)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid?
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66165173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).