(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid

C11H13NO3 — CID 105460058

IUPAC(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
SMILESCOc1cccc(/C=C/C(N)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b6-5+
InChIKeyHSAWFSQWGAZHLA-AATRIKPKSA-N
MW207.23 g/mol
LogP1.12
Rot. Bonds4

About (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid

(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid (PubChem CID 105460058) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
PubChem CID105460058
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
SMILESCOc1cccc(/C=C/C(N)C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b6-5+
InChIKeyHSAWFSQWGAZHLA-AATRIKPKSA-N
XLogP1.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic 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

(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
CID 105460059
(E)-2-amino-4-(3-methylphenyl)but-3-enoic acid
CID 105444865
(2S,4R)-2-amino-4-[(E)-3-(3-methoxyphenyl)prop-2-enyl]pentanedioic acid
CID 10780042
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(1E,6E)-5-hydroxy-1,7-bis(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 136703950
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
CID 141059857
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid?
The IUPAC name of (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid (CID 105460058) is (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid is COc1cccc(/C=C/C(N)C(=O)O)c1.
What is the InChIKey of (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid?
The InChIKey is HSAWFSQWGAZHLA-AATRIKPKSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-9-4-2-3-8(7-9)5-6-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b6-5+.
What are the key properties of (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid?
(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid is sourced from PubChem (CID 105460058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).