2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid

C13H15NO4S — CID 77133331

IUPAC2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C=Cc2cccs2)CCO1
InChIInChI=1S/C13H15NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-4,7,10H,5-6,8-9H2,(H,16,17)
InChIKeyCOTWBJTWGBVARH-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid

2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid (PubChem CID 77133331) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
PubChem CID77133331
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C=Cc2cccs2)CCO1
InChIInChI=1S/C13H15NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-4,7,10H,5-6,8-9H2,(H,16,17)
InChIKeyCOTWBJTWGBVARH-UHFFFAOYSA-N
XLogP1.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 115344511
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[4-[3-(2-chlorophenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 77133316
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-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126779749
1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007021
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 126777192
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 79029428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid (CID 77133331) is 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C=Cc2cccs2)CCO1.
What is the InChIKey of 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid?
The InChIKey is COTWBJTWGBVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-12(4-3-11-2-1-7-19-11)14-5-6-18-10(9-14)8-13(16)17/h1-4,7,10H,5-6,8-9H2,(H,16,17).
What are the key properties of 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid?
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid has a molecular weight of 281.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 77133331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).