(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid

C6H11NO5S2 — CID 174536174

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid
SMILESN[C@@H](CS)C(=O)O.O=C(O)C(=O)CS
InChIInChI=1S/C3H7NO2S.C3H4O3S/c2*4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6);7H,1H2,(H,5,6)/t2-;/m0./s1
InChIKeyHDLJXFQXDJTOTK-DKWTVANSSA-N
MW241.29 g/mol
LogP-1.10
Rot. Bonds4

About (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid

(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid (PubChem CID 174536174) has the molecular formula C6H11NO5S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid
PubChem CID174536174
Molecular FormulaC6H11NO5S2
Molecular Weight241.29 g/mol
Exact Mass241.01
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid
SMILESN[C@@H](CS)C(=O)O.O=C(O)C(=O)CS
InChIInChI=1S/C3H7NO2S.C3H4O3S/c2*4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6);7H,1H2,(H,5,6)/t2-;/m0./s1
InChIKeyHDLJXFQXDJTOTK-DKWTVANSSA-N
XLogP-1.10
TPSA117.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2S)-2-amino-3-sulfanylpropanoic acid;methane;hydrochloride
CID 87203931

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid (CID 174536174) is (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid is N[C@@H](CS)C(=O)O.O=C(O)C(=O)CS.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid?
The InChIKey is HDLJXFQXDJTOTK-DKWTVANSSA-N. The full InChI is InChI=1S/C3H7NO2S.C3H4O3S/c2*4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6);7H,1H2,(H,5,6)/t2-;/m0./s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid?
(2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid has a molecular weight of 241.29 g/mol, XLogP of -1.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;2-oxo-3-sulfanylpropanoic acid is sourced from PubChem (CID 174536174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).