2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid

C15H19NO5 — CID 81084653

IUPAC2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
SMILESCCOc1ccccc1/C=C/C(=O)NC(COC)C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-21-13-7-5-4-6-11(13)8-9-14(17)16-12(10-20-2)15(18)19/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/b9-8+
InChIKeyVEVUFBKQCDBCHC-CMDGGOBGSA-N
MW293.32 g/mol
LogP1.31
Rot. Bonds8

About 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid

2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid (PubChem CID 81084653) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
PubChem CID81084653
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
SMILESCCOc1ccccc1/C=C/C(=O)NC(COC)C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-21-13-7-5-4-6-11(13)8-9-14(17)16-12(10-20-2)15(18)19/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/b9-8+
InChIKeyVEVUFBKQCDBCHC-CMDGGOBGSA-N
XLogP1.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077200
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103851116
3-phenyl-2-[[(E)-3-(2-propoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 53264038
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
3-methoxy-2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 81084982
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-5-methoxypentanoic acid
CID 81085473
3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247353
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
CID 134029408
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)prop-2-enamide
CID 103867183
ethyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 43877540

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid (CID 81084653) is 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid is CCOc1ccccc1/C=C/C(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid?
The InChIKey is VEVUFBKQCDBCHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-13-7-5-4-6-11(13)8-9-14(17)16-12(10-20-2)15(18)19/h4-9,12H,3,10H2,1-2H3,(H,16,17)(H,18,19)/b9-8+.
What are the key properties of 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid?
2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81084653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).