2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid

C12H14N2O4S — CID 79263328

IUPAC2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H14N2O4S/c1-2-5-14(8-11(16)17)10(15)7-13-12(18)9-4-3-6-19-9/h2-4,6H,1,5,7-8H2,(H,13,18)(H,16,17)
InChIKeyQFYJSEAKUJLQAI-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.58
Rot. Bonds7

About 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid

2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid (PubChem CID 79263328) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
PubChem CID79263328
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H14N2O4S/c1-2-5-14(8-11(16)17)10(15)7-13-12(18)9-4-3-6-19-9/h2-4,6H,1,5,7-8H2,(H,13,18)(H,16,17)
InChIKeyQFYJSEAKUJLQAI-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79265565
3-[prop-2-enyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324441
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330561
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 43577077
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid (CID 79263328) is 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid is C=CCN(CC(=O)O)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is QFYJSEAKUJLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-2-5-14(8-11(16)17)10(15)7-13-12(18)9-4-3-6-19-9/h2-4,6H,1,5,7-8H2,(H,13,18)(H,16,17).
What are the key properties of 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid?
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 282.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 79263328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).