2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid

C12H15NO3 — CID 18071913

IUPAC2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
SMILESCc1ccc(C)c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8-4-5-9(2)10(6-8)12(16)13(3)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyRKGYAOHQVBYMMV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds3

About 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid

2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid (PubChem CID 18071913) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
PubChem CID18071913
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
SMILESCc1ccc(C)c(C(=O)N(C)CC(=O)O)c1
InChIInChI=1S/C12H15NO3/c1-8-4-5-9(2)10(6-8)12(16)13(3)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyRKGYAOHQVBYMMV-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethylbenzoyl)-methylamino]acetic 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-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65461207
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
2-[(2,5-dimethylbenzoyl)-prop-2-ynylamino]acetic acid
CID 79280095
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid (CID 18071913) is 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid is Cc1ccc(C)c(C(=O)N(C)CC(=O)O)c1.
What is the InChIKey of 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid?
The InChIKey is RKGYAOHQVBYMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-5-9(2)10(6-8)12(16)13(3)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid?
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 18071913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).