2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid

C15H16FNO4 — CID 66420759

IUPAC2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)/C=C/c2cccc(F)c2)CCO1
InChIInChI=1S/C15H16FNO4/c16-12-3-1-2-11(8-12)4-5-14(18)17-6-7-21-13(10-17)9-15(19)20/h1-5,8,13H,6-7,9-10H2,(H,19,20)/b5-4+
InChIKeyHIBUQLZYMQBKCE-SNAWJCMRSA-N
MW293.29 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid

2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (PubChem CID 66420759) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
PubChem CID66420759
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)/C=C/c2cccc(F)c2)CCO1
InChIInChI=1S/C15H16FNO4/c16-12-3-1-2-11(8-12)4-5-14(18)17-6-7-21-13(10-17)9-15(19)20/h1-5,8,13H,6-7,9-10H2,(H,19,20)/b5-4+
InChIKeyHIBUQLZYMQBKCE-SNAWJCMRSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
CID 94371381
2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 115344511
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
2-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126777192
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 77133316
2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126779749
1-[3-(3-fluorophenyl)prop-2-enoyl]azetidine-3-carboxylic acid
CID 77034563
2-[(2R)-4-[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704965
2-[(2S)-4-[(2R)-2-(3-fluorophenoxy)propanoyl]morpholin-2-yl]acetic acid
CID 125118657
2-[4-[2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 119248827
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (CID 66420759) is 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)/C=C/c2cccc(F)c2)CCO1.
What is the InChIKey of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The InChIKey is HIBUQLZYMQBKCE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-12-3-1-2-11(8-12)4-5-14(18)17-6-7-21-13(10-17)9-15(19)20/h1-5,8,13H,6-7,9-10H2,(H,19,20)/b5-4+.
What are the key properties of 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid has a molecular weight of 293.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).