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

C9H19NO2S — CID 112551537

IUPAC2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
SMILESCCC(CSC)N(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-5-8(6-13-4)10(3)7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyFOVAFLBQQUNEOW-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.53
Rot. Bonds6

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

2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid (PubChem CID 112551537) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
PubChem CID112551537
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
SMILESCCC(CSC)N(C)C(C)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-5-8(6-13-4)10(3)7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyFOVAFLBQQUNEOW-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 103224864
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoic acid
CID 112661600
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
CID 112661499
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662742
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid (CID 112551537) is 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid is CCC(CSC)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
The InChIKey is FOVAFLBQQUNEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-8(6-13-4)10(3)7(2)9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid?
2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 112551537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).