5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid

C15H19NO4 — CID 81077327

IUPAC5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,13H,5,8,11H2,1H3,(H,16,17)(H,18,19)/b10-9+
InChIKeyOMPNVIFMUDCYEH-MDZDMXLPSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds8

About 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid

5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid (PubChem CID 81077327) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
PubChem CID81077327
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
SMILESCOCCCC(NC(=O)/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,13H,5,8,11H2,1H3,(H,16,17)(H,18,19)/b10-9+
InChIKeyOMPNVIFMUDCYEH-MDZDMXLPSA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-5-methoxypentanoic acid
CID 81085473
(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 107563876
2-[3-(4-fluorophenyl)prop-2-enoylamino]-4-methoxybutanoic acid
CID 76944184
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-4-methoxybutanoic acid
CID 115343969
4-methoxy-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71325831
methyl 2-(3-phenylprop-2-enoylamino)hexanoate
CID 78410683
(2R)-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79024008
2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71386191
5-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]octanoic acid
CID 167539160
3-methoxy-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077123
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81080270
(2R)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 92523935

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid (CID 81077327) is 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid is COCCCC(NC(=O)/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid?
The InChIKey is OMPNVIFMUDCYEH-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-11-5-8-13(15(18)19)16-14(17)10-9-12-6-3-2-4-7-12/h2-4,6-7,9-10,13H,5,8,11H2,1H3,(H,16,17)(H,18,19)/b10-9+.
What are the key properties of 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid?
5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid is sourced from PubChem (CID 81077327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).