2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid

C13H26N2O3S — CID 112662753

IUPAC2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CSC)N(C)C(=O)NCC(C)(CC)C(=O)O
InChIInChI=1S/C13H26N2O3S/c1-6-10(8-19-5)15(4)12(18)14-9-13(3,7-2)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyPUNVEOSKDHOLSA-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.27
Rot. Bonds8

About 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid

2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 112662753) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
PubChem CID112662753
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CSC)N(C)C(=O)NCC(C)(CC)C(=O)O
InChIInChI=1S/C13H26N2O3S/c1-6-10(8-19-5)15(4)12(18)14-9-13(3,7-2)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyPUNVEOSKDHOLSA-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 112662783
2-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662769
4-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 112662782
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662742
4-ethyl-6-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]hexanoic acid
CID 115986558
(2S)-3-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 103955226
2-[ethyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 112662766
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
1-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 112662741
2,3-dimethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 103955095
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
4-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid (CID 112662753) is 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid is CCC(CSC)N(C)C(=O)NCC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is PUNVEOSKDHOLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-6-10(8-19-5)15(4)12(18)14-9-13(3,7-2)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid?
2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 290.43 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 112662753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).