methyl 2-(2-methylpropanoylamino)benzoate

C12H15NO3 — CID 829361

IUPACmethyl 2-(2-methylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C12H15NO3/c1-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyZRMIWTLFLJOOPM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-(2-methylpropanoylamino)benzoate

methyl 2-(2-methylpropanoylamino)benzoate (PubChem CID 829361) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-(2-methylpropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropanoylamino)benzoate
PubChem CID829361
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-(2-methylpropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C12H15NO3/c1-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyZRMIWTLFLJOOPM-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2-methylpropanoylamino)benzoate 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

Methyl Anthranilate
CID 8635
Methyl N-methylanthranilate
CID 6826
Isatoic Anhydride
CID 8359
N-Phenylanthranilic Acid
CID 4386
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
N-acetylanthranilic acid
CID 6971
Allyl anthranilate
CID 24116
Isobutyl anthranilate
CID 24515

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropanoylamino)benzoate?
The IUPAC name of methyl 2-(2-methylpropanoylamino)benzoate (CID 829361) is methyl 2-(2-methylpropanoylamino)benzoate.
What is the SMILES notation for methyl 2-(2-methylpropanoylamino)benzoate?
The canonical SMILES for methyl 2-(2-methylpropanoylamino)benzoate is COC(=O)c1ccccc1NC(=O)C(C)C.
What is the InChIKey of methyl 2-(2-methylpropanoylamino)benzoate?
The InChIKey is ZRMIWTLFLJOOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16-3/h4-8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-(2-methylpropanoylamino)benzoate?
methyl 2-(2-methylpropanoylamino)benzoate has a molecular weight of 221.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropanoylamino)benzoate is sourced from PubChem (CID 829361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).