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

C12H18N2O3S — CID 63292232

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(7-10-5-4-6-18-10)13-12(17)14(3)9(2)11(15)16/h4-6,8-9H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQAOMGMUHKSDBHU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.79
Rot. Bonds5

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

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 63292232) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
PubChem CID63292232
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(Cc1cccs1)NC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-8(7-10-5-4-6-18-10)13-12(17)14(3)9(2)11(15)16/h4-6,8-9H,7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQAOMGMUHKSDBHU-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
CID 62639758
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292151
3-[ethyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]butanoic acid
CID 63292320
3,3-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]amino]butanoic acid
CID 79488507
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171570
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
2-[prop-2-enyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79285898
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid (CID 63292232) is 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid is CC(Cc1cccs1)NC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is QAOMGMUHKSDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(7-10-5-4-6-18-10)13-12(17)14(3)9(2)11(15)16/h4-6,8-9H,7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid?
2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63292232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).