4-methoxy-3-(2-methylpropanoylamino)benzoic acid

C12H15NO4 — CID 63742748

IUPAC4-methoxy-3-(2-methylpropanoylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C(C)C
InChIInChI=1S/C12H15NO4/c1-7(2)11(14)13-9-6-8(12(15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyHVMVCJMUZQLLCB-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.99
Rot. Bonds4

About 4-methoxy-3-(2-methylpropanoylamino)benzoic acid

4-methoxy-3-(2-methylpropanoylamino)benzoic acid (PubChem CID 63742748) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-methoxy-3-(2-methylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-methylpropanoylamino)benzoic acid
PubChem CID63742748
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-methoxy-3-(2-methylpropanoylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C(C)C
InChIInChI=1S/C12H15NO4/c1-7(2)11(14)13-9-6-8(12(15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyHVMVCJMUZQLLCB-UHFFFAOYSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-(2-methylpropanoylamino)benzoic 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

N-(5-benzoyl-2-methoxyphenyl)-2-methylpropanamide
CID 56687266
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251
N-(3,4-dimethoxyphenyl)-4-methoxy-3-(2-methylpropanoylamino)benzamide
CID 118877995
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-[2-methoxy-5-(3-phenylpropanoyl)phenyl]-2-methylpropanamide
CID 147906172
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzoic acid
CID 107145552
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-methoxybenzoic acid
CID 82940017
3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methylpropanoylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-methylpropanoylamino)benzoic acid (CID 63742748) is 4-methoxy-3-(2-methylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-methylpropanoylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-methylpropanoylamino)benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)C(C)C.
What is the InChIKey of 4-methoxy-3-(2-methylpropanoylamino)benzoic acid?
The InChIKey is HVMVCJMUZQLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7(2)11(14)13-9-6-8(12(15)16)4-5-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-methoxy-3-(2-methylpropanoylamino)benzoic acid?
4-methoxy-3-(2-methylpropanoylamino)benzoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methylpropanoylamino)benzoic acid is sourced from PubChem (CID 63742748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).