(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid

C7H13NO8S — CID 87395189

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid
SMILESN[C@@H](CS)C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C3H7NO2S/c5-1(3(7)8)2(6)4(9)10;4-2(1-7)3(5)6/h1-2,5-6H,(H,7,8)(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyBFBXCAXCUSDZNQ-WNQIDUERSA-N
MW271.25 g/mol
LogP-2.79
Rot. Bonds5

About (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid

(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid (PubChem CID 87395189) has the molecular formula C7H13NO8S and a molecular weight of 271.25 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid
PubChem CID87395189
Molecular FormulaC7H13NO8S
Molecular Weight271.25 g/mol
Exact Mass271.04
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid
SMILESN[C@@H](CS)C(=O)O.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C4H6O6.C3H7NO2S/c5-1(3(7)8)2(6)4(9)10;4-2(1-7)3(5)6/h1-2,5-6H,(H,7,8)(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyBFBXCAXCUSDZNQ-WNQIDUERSA-N
XLogP-2.79
TPSA178.38 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.25
LogP ≤ 5-2.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic 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 (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid (CID 87395189) is (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid is N[C@@H](CS)C(=O)O.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid?
The InChIKey is BFBXCAXCUSDZNQ-WNQIDUERSA-N. The full InChI is InChI=1S/C4H6O6.C3H7NO2S/c5-1(3(7)8)2(6)4(9)10;4-2(1-7)3(5)6/h1-2,5-6H,(H,7,8)(H,9,10);2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid?
(2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid has a molecular weight of 271.25 g/mol, XLogP of -2.79, 5 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 87395189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).