2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid

C11H13NO4 — CID 16772669

IUPAC2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
SMILESCc1ccc(C(=O)N(C)CC(=O)O)cc1O
InChIInChI=1S/C11H13NO4/c1-7-3-4-8(5-9(7)13)11(16)12(2)6-10(14)15/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyULRCYEBWEUOVIU-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.86
Rot. Bonds3

About 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid

2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid (PubChem CID 16772669) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
PubChem CID16772669
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
SMILESCc1ccc(C(=O)N(C)CC(=O)O)cc1O
InChIInChI=1S/C11H13NO4/c1-7-3-4-8(5-9(7)13)11(16)12(2)6-10(14)15/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyULRCYEBWEUOVIU-UHFFFAOYSA-N
XLogP0.86
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
CID 110465928
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
CID 110016170
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid (CID 16772669) is 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid is Cc1ccc(C(=O)N(C)CC(=O)O)cc1O.
What is the InChIKey of 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid?
The InChIKey is ULRCYEBWEUOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-3-4-8(5-9(7)13)11(16)12(2)6-10(14)15/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid?
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 16772669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).