2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid

C14H16FNO3 — CID 43630603

IUPAC2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)/C=C/c1ccccc1F)C(=O)O
InChIInChI=1S/C14H16FNO3/c1-2-5-12(14(18)19)16-13(17)9-8-10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5H2,1H3,(H,16,17)(H,18,19)/b9-8+
InChIKeyJYUGMFMEFDNCEN-CMDGGOBGSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds6

About 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid

2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid (PubChem CID 43630603) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid
PubChem CID43630603
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)/C=C/c1ccccc1F)C(=O)O
InChIInChI=1S/C14H16FNO3/c1-2-5-12(14(18)19)16-13(17)9-8-10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5H2,1H3,(H,16,17)(H,18,19)/b9-8+
InChIKeyJYUGMFMEFDNCEN-CMDGGOBGSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid?
The IUPAC name of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid (CID 43630603) is 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid is CCCC(NC(=O)/C=C/c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid?
The InChIKey is JYUGMFMEFDNCEN-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-5-12(14(18)19)16-13(17)9-8-10-6-3-4-7-11(10)15/h3-4,6-9,12H,2,5H2,1H3,(H,16,17)(H,18,19)/b9-8+.
What are the key properties of 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid?
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid has a molecular weight of 265.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]pentanoic acid is sourced from PubChem (CID 43630603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).