2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid

C13H18N2O3S — CID 79285898

IUPAC2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H18N2O3S/c1-3-6-15(9-12(16)17)13(18)14-10(2)8-11-5-4-7-19-11/h3-5,7,10H,1,6,8-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyIMCGMAMPMCHFGX-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.96
Rot. Bonds7

About 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid

2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 79285898) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
PubChem CID79285898
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H18N2O3S/c1-3-6-15(9-12(16)17)13(18)14-10(2)8-11-5-4-7-19-11/h3-5,7,10H,1,6,8-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyIMCGMAMPMCHFGX-UHFFFAOYSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292320
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 79263328
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
(E)-3-(1-thiophen-2-ylpropan-2-ylamino)prop-2-enoic acid
CID 103251846
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid (CID 79285898) is 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)NC(C)Cc1cccs1.
What is the InChIKey of 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is IMCGMAMPMCHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-6-15(9-12(16)17)13(18)14-10(2)8-11-5-4-7-19-11/h3-5,7,10H,1,6,8-9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid?
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 282.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79285898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).