2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid

C12H18N2O3S — CID 55171571

IUPAC2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-10(11(15)16)14-12(17)13-8(2)7-9-5-4-6-18-9/h4-6,8,10H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyMPFZHMQLWXVTKC-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.84
Rot. Bonds6

About 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid

2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid (PubChem CID 55171571) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
PubChem CID55171571
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-3-10(11(15)16)14-12(17)13-8(2)7-9-5-4-6-18-9/h4-6,8,10H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyMPFZHMQLWXVTKC-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
1-(1-phenylbutyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 112820242
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
1-butyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 115579833
2,3-dimethyl-4-oxo-4-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76994566
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid (CID 55171571) is 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid is CCC(NC(=O)NC(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is MPFZHMQLWXVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-10(11(15)16)14-12(17)13-8(2)7-9-5-4-6-18-9/h4-6,8,10H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid?
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 55171571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).