(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid

C7H13NO3S — CID 174532467

IUPAC(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCC[C@](C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(6(10)11,8-5-9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChIKeyYSSKZLIMJGZENJ-ZETCQYMHSA-N
MW191.25 g/mol
LogP0.33
Rot. Bonds6

About (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid

(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid (PubChem CID 174532467) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid
PubChem CID174532467
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCC[C@](C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(6(10)11,8-5-9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChIKeyYSSKZLIMJGZENJ-ZETCQYMHSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic 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-formamido-2-methylpentanoic acid
CID 61145661
2,2-diformamidopropanoic acid
CID 87109916
2-formyl-4-methylsulfanyl-2-(prop-2-enylamino)butanoic acid
CID 140671808
(2S)-2-amino-2-hydroxy-4-methylsulfanylbutanoic acid
CID 45082567
(2S)-2-amino-2-fluoro-4-methylsulfanylbutanoic acid
CID 174641982
2-methyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 79801540
2-amino-2-formyl-4-methylsulfanylbutanamide
CID 57101655
2-ethyl-2-formamidobutanoic acid
CID 63689307
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
2-methyl-2-(3-methylsulfanylpropylcarbamoylamino)butanoic acid
CID 79801622
(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
CID 134989261
2-butyl-2-formamidohexanoic acid
CID 121217700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid (CID 174532467) is (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid is CSCC[C@](C)(NC=O)C(=O)O.
What is the InChIKey of (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid?
The InChIKey is YSSKZLIMJGZENJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-7(6(10)11,8-5-9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid?
(2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid has a molecular weight of 191.25 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-2-methyl-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 174532467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).