4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid

C13H20N2O3S — CID 63292151

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H20N2O3S/c1-10(9-11-5-4-8-19-11)14-13(18)15(2)7-3-6-12(16)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOTSDMSNMTNGSAC-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.19
Rot. Bonds7

About 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid

4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid (PubChem CID 63292151) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
PubChem CID63292151
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H20N2O3S/c1-10(9-11-5-4-8-19-11)14-13(18)15(2)7-3-6-12(16)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOTSDMSNMTNGSAC-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
6-oxo-6-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)hexanoic acid
CID 63292490
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292320
5-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 82847767
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid (CID 63292151) is 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid is CC(Cc1cccs1)NC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
The InChIKey is OTSDMSNMTNGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(9-11-5-4-8-19-11)14-13(18)15(2)7-3-6-12(16)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid?
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 63292151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).