3-[(2-methoxybenzoyl)amino]propanoic acid

C22H26N2O8 — CID 67981005

IUPAC3-[(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)NCCC(=O)O.COc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/2C11H13NO4/c2*1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2*2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyXAKYAVLVDGMFFX-UHFFFAOYSA-N
MW446.46 g/mol
LogP1.80
Rot. Bonds10

About 3-[(2-methoxybenzoyl)amino]propanoic acid

3-[(2-methoxybenzoyl)amino]propanoic acid (PubChem CID 67981005) has the molecular formula C22H26N2O8 and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-[(2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methoxybenzoyl)amino]propanoic acid
PubChem CID67981005
Molecular FormulaC22H26N2O8
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name3-[(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)NCCC(=O)O.COc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/2C11H13NO4/c2*1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2*2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyXAKYAVLVDGMFFX-UHFFFAOYSA-N
XLogP1.80
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methoxybenzoyl)amino]propanoic 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

11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-methoxy-N-tridecylbenzamide
CID 139819873

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(2-methoxybenzoyl)amino]propanoic acid (CID 67981005) is 3-[(2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methoxybenzoyl)amino]propanoic acid is COc1ccccc1C(=O)NCCC(=O)O.COc1ccccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is XAKYAVLVDGMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13NO4/c2*1-16-9-5-3-2-4-8(9)11(15)12-7-6-10(13)14/h2*2-5H,6-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-[(2-methoxybenzoyl)amino]propanoic acid?
3-[(2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 446.46 g/mol, XLogP of 1.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 67981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).