3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid

C11H13NO3S — CID 82324441

IUPAC3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-2-6-12(7-5-10(13)14)11(15)9-4-3-8-16-9/h2-4,8H,1,5-7H2,(H,13,14)
InChIKeyORYGTKVTTPCXPX-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.85
Rot. Bonds6

About 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid

3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid (PubChem CID 82324441) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
PubChem CID82324441
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESC=CCN(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C11H13NO3S/c1-2-6-12(7-5-10(13)14)11(15)9-4-3-8-16-9/h2-4,8H,1,5-7H2,(H,13,14)
InChIKeyORYGTKVTTPCXPX-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 79263328
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide
CID 60646137
N,N-diethylthiophene-2-carboxamide
CID 962897
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]propanoic acid
CID 100650340
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 3456879
CID 69259223
CID 69259223
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672

Frequently Asked Questions

What is the IUPAC name of 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid (CID 82324441) is 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid is C=CCN(CCC(=O)O)C(=O)c1cccs1.
What is the InChIKey of 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is ORYGTKVTTPCXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-6-12(7-5-10(13)14)11(15)9-4-3-8-16-9/h2-4,8H,1,5-7H2,(H,13,14).
What are the key properties of 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid?
3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82324441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).