(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid

C4H9NO2S — CID 171381617

IUPAC(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
SMILES[2H]C([2H])(S)C([2H])([2H])[C@@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i1D2,2D2
InChIKeyFFFHZYDWPBMWHY-ADHRGRJKSA-N
MW139.21 g/mol
LogP-0.28
Rot. Bonds3

About (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid

(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid (PubChem CID 171381617) has the molecular formula C4H9NO2S and a molecular weight of 139.21 g/mol. Its IUPAC name is (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
PubChem CID171381617
Molecular FormulaC4H9NO2S
Molecular Weight139.21 g/mol
Exact Mass139.06
IUPAC Name(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
SMILES[2H]C([2H])(S)C([2H])([2H])[C@@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i1D2,2D2
InChIKeyFFFHZYDWPBMWHY-ADHRGRJKSA-N
XLogP-0.28
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic 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

(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid?
The IUPAC name of (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid (CID 171381617) is (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid?
The canonical SMILES for (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid is [2H]C([2H])(S)C([2H])([2H])[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid?
The InChIKey is FFFHZYDWPBMWHY-ADHRGRJKSA-N. The full InChI is InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1/i1D2,2D2.
What are the key properties of (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid?
(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid has a molecular weight of 139.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid is sourced from PubChem (CID 171381617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).