2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid

C12H24N2O4S — CID 113493661

IUPAC2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)CCS(C)=O)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-5-7-12(3,10(15)16)14-11(17)13-9(2)6-8-19(4)18/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyCHVYNMPMRKWARO-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.09
Rot. Bonds8

About 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid

2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 113493661) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
PubChem CID113493661
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)CCS(C)=O)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-5-7-12(3,10(15)16)14-11(17)13-9(2)6-8-19(4)18/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyCHVYNMPMRKWARO-UHFFFAOYSA-N
XLogP1.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-2-methylpentanoic acid
CID 103997662
2-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
CID 61187475
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557
2-(hex-5-yn-3-ylcarbamoylamino)-2-methylpentanoic acid
CID 113364079
2-[(2-amino-2-methylbutanoyl)amino]-2-methylpentanoic acid
CID 79805177
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
2-(2,3-dimethylpentanoylamino)-2-methylpentanoic acid
CID 120517032
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
3,3,3-trifluoro-2-(hexan-2-ylcarbamoylamino)-2-methylpropanoic acid
CID 79801292

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid (CID 113493661) is 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)NC(C)CCS(C)=O)C(=O)O.
What is the InChIKey of 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is CHVYNMPMRKWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-5-7-12(3,10(15)16)14-11(17)13-9(2)6-8-19(4)18/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid?
2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 113493661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).