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

C11H22N2O3S — CID 112662748

IUPAC2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CSC)N(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-6-9(7-17-5)13(4)11(16)12(3)8(2)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyKANSKHAVCDQPOI-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.58
Rot. Bonds6

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

2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 112662748) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID112662748
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CSC)N(C)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-6-9(7-17-5)13(4)11(16)12(3)8(2)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyKANSKHAVCDQPOI-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112551537
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
3-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662758
2-[ethyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 112662766
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662742
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662769
(2S)-4-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 103955219
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
(2S)-3-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 103955226

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid (CID 112662748) is 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid is CCC(CSC)N(C)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is KANSKHAVCDQPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-6-9(7-17-5)13(4)11(16)12(3)8(2)10(14)15/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid?
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 262.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 112662748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).