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

C15H16ClNO4 — CID 77133316

IUPAC2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C=Cc2ccccc2Cl)CCO1
InChIInChI=1S/C15H16ClNO4/c16-13-4-2-1-3-11(13)5-6-14(18)17-7-8-21-12(10-17)9-15(19)20/h1-6,12H,7-10H2,(H,19,20)
InChIKeyWOUPNIJZWTZHGR-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.06
Rot. Bonds4

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

2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (PubChem CID 77133316) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
PubChem CID77133316
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C=Cc2ccccc2Cl)CCO1
InChIInChI=1S/C15H16ClNO4/c16-13-4-2-1-3-11(13)5-6-14(18)17-7-8-21-12(10-17)9-15(19)20/h1-6,12H,7-10H2,(H,19,20)
InChIKeyWOUPNIJZWTZHGR-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.06
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

2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 115344511
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420759
2-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholin-2-yl]acetic acid
CID 66420956
2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126779749
2-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126790434
(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510
(E)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 81208224
2-[4-[3-(2-fluorophenyl)but-2-enoyl]morpholin-2-yl]acetic acid
CID 126794392
2-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126777192

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid (CID 77133316) is 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C=Cc2ccccc2Cl)CCO1.
What is the InChIKey of 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
The InChIKey is WOUPNIJZWTZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c16-13-4-2-1-3-11(13)5-6-14(18)17-7-8-21-12(10-17)9-15(19)20/h1-6,12H,7-10H2,(H,19,20).
What are the key properties of 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid has a molecular weight of 309.75 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 77133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).