(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid

C5H12N2O3S — CID 24755525

IUPAC(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=[S@](C)(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1
InChIKeySXTAYKAGBXMACB-AQPAIEDISA-N
MW180.23 g/mol
LogP-0.54
Rot. Bonds4

About (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid

(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid (PubChem CID 24755525) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
PubChem CID24755525
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid
SMILES[H]N=[S@](C)(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1
InChIKeySXTAYKAGBXMACB-AQPAIEDISA-N
XLogP-0.54
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid (CID 24755525) is (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid is [H]N=[S@](C)(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid?
The InChIKey is SXTAYKAGBXMACB-AQPAIEDISA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11+/m0/s1.
What are the key properties of (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid?
(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid has a molecular weight of 180.23 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid is sourced from PubChem (CID 24755525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).