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

C11H13NO3 — CID 105460059

IUPAC(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
SMILESCOc1ccc(/C=C/C(N)C(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b7-4+
InChIKeyWBKFVBJAEGAUMU-QPJJXVBHSA-N
MW207.23 g/mol
LogP1.12
Rot. Bonds4

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

(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid (PubChem CID 105460059) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
PubChem CID105460059
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid
SMILESCOc1ccc(/C=C/C(N)C(=O)O)cc1
InChIInChI=1S/C11H13NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b7-4+
InChIKeyWBKFVBJAEGAUMU-QPJJXVBHSA-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

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Related Compounds

(E)-2-amino-4-(3-methoxyphenyl)but-3-enoic acid
CID 105460058
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
dimethyl 2-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]propanedioate
CID 101374633
(E)-4-hydroxy-6-(4-methoxyphenyl)hex-5-en-2-ynoic acid
CID 23051861
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
2-amino-4-(3,4-dihydroxyphenyl)but-3-enoic acid
CID 70558627
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-amino-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-oxobutanoic acid
CID 24691672
(2S)-3-hydroxy-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoic acid
CID 61153484
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid?
The IUPAC name of (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid (CID 105460059) is (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid is COc1ccc(/C=C/C(N)C(=O)O)cc1.
What is the InChIKey of (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid?
The InChIKey is WBKFVBJAEGAUMU-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-9-5-2-8(3-6-9)4-7-10(12)11(13)14/h2-7,10H,12H2,1H3,(H,13,14)/b7-4+.
What are the key properties of (E)-2-amino-4-(4-methoxyphenyl)but-3-enoic acid?
(E)-2-amino-4-(4-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-(4-methoxyphenyl)but-3-enoic acid is sourced from PubChem (CID 105460059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).