sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite

C3H7N2NaO4S — CID 162394147

IUPACsodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite
SMILESN[C@@H](CS)C(=O)O.O=N[O-].[Na+]
InChIInChI=1S/C3H7NO2S.HNO2.Na/c4-2(1-7)3(5)6;2-1-3;/h2,7H,1,4H2,(H,5,6);(H,2,3);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyODXZWDUPXFBLBD-JIZZDEOASA-M
MW190.16 g/mol
LogP-3.42
Rot. Bonds2

About sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite

sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite (PubChem CID 162394147) has the molecular formula C3H7N2NaO4S and a molecular weight of 190.16 g/mol. Its IUPAC name is sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite.

Molecular Properties

Compound Namesodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite
PubChem CID162394147
Molecular FormulaC3H7N2NaO4S
Molecular Weight190.16 g/mol
Exact Mass190.00
IUPAC Namesodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite
SMILESN[C@@H](CS)C(=O)O.O=N[O-].[Na+]
InChIInChI=1S/C3H7NO2S.HNO2.Na/c4-2(1-7)3(5)6;2-1-3;/h2,7H,1,4H2,(H,5,6);(H,2,3);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyODXZWDUPXFBLBD-JIZZDEOASA-M
XLogP-3.42
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-3.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
(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
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
CID 167600455
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite?
The IUPAC name of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite (CID 162394147) is sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite.
What is the SMILES notation for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite?
The canonical SMILES for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite is N[C@@H](CS)C(=O)O.O=N[O-].[Na+].
What is the InChIKey of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite?
The InChIKey is ODXZWDUPXFBLBD-JIZZDEOASA-M. The full InChI is InChI=1S/C3H7NO2S.HNO2.Na/c4-2(1-7)3(5)6;2-1-3;/h2,7H,1,4H2,(H,5,6);(H,2,3);/q;;+1/p-1/t2-;;/m0../s1.
What are the key properties of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite?
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite has a molecular weight of 190.16 g/mol, XLogP of -3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite is sourced from PubChem (CID 162394147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).