3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid

C11H13NO5 — CID 68549525

IUPAC3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)NCCC(=O)O)ccc1O
InChIInChI=1S/C11H13NO5/c1-17-9-6-7(2-3-8(9)13)11(16)12-5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyZQTFVSJIIUIDTH-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.61
Rot. Bonds5

About 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid

3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid (PubChem CID 68549525) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
PubChem CID68549525
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
SMILESCOc1cc(C(=O)NCCC(=O)O)ccc1O
InChIInChI=1S/C11H13NO5/c1-17-9-6-7(2-3-8(9)13)11(16)12-5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyZQTFVSJIIUIDTH-UHFFFAOYSA-N
XLogP0.61
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-hydroxy-3-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

6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S,3S)-2-amino-3-methylpentanoate
CID 101136608
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid (CID 68549525) is 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid is COc1cc(C(=O)NCCC(=O)O)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid?
The InChIKey is ZQTFVSJIIUIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-17-9-6-7(2-3-8(9)13)11(16)12-5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid?
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 68549525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).