sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride

C5H10NNaO3S — CID 173279188

IUPACsodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
SMILESCC(=O)OC(=O)[C@@H](N)CS.[H-].[Na+]
InChIInChI=1S/C5H9NO3S.Na.H/c1-3(7)9-5(8)4(6)2-10;;/h4,10H,2,6H2,1H3;;/q;+1;-1/t4-;;/m0../s1
InChIKeyRJPOPEYLCSLCMU-FHNDMYTFSA-N
MW187.20 g/mol
LogP-3.55
Rot. Bonds2

About sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride

sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride (PubChem CID 173279188) has the molecular formula C5H10NNaO3S and a molecular weight of 187.20 g/mol. Its IUPAC name is sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride.

Molecular Properties

Compound Namesodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
PubChem CID173279188
Molecular FormulaC5H10NNaO3S
Molecular Weight187.20 g/mol
Exact Mass187.03
IUPAC Namesodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
SMILESCC(=O)OC(=O)[C@@H](N)CS.[H-].[Na+]
InChIInChI=1S/C5H9NO3S.Na.H/c1-3(7)9-5(8)4(6)2-10;;/h4,10H,2,6H2,1H3;;/q;+1;-1/t4-;;/m0../s1
InChIKeyRJPOPEYLCSLCMU-FHNDMYTFSA-N
XLogP-3.55
TPSA69.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-3.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
acetyl (2R)-2-amino-4-sulfanylbutanoate
CID 87669998
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
bis[(2R)-2-amino-3-sulfanylpropanoyl] propanedioate
CID 57148534
diacetyl (2S)-2-aminobutanedioate
CID 57235306
4-acetyloxy-3-amino-4-oxobutanoic acid
CID 22496678
diacetyl (2S)-2-aminopentanedioate
CID 57203274
bis[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-aminobutanedioate
CID 57308411
(3S)-3-amino-4-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-4-oxobutanoic acid
CID 57296161
bis(2-amino-3-sulfanylpropanoyl) 2-aminobutanedioate
CID 76504245
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911

Frequently Asked Questions

What is the IUPAC name of sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride?
The IUPAC name of sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride (CID 173279188) is sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride.
What is the SMILES notation for sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride?
The canonical SMILES for sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride is CC(=O)OC(=O)[C@@H](N)CS.[H-].[Na+].
What is the InChIKey of sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride?
The InChIKey is RJPOPEYLCSLCMU-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO3S.Na.H/c1-3(7)9-5(8)4(6)2-10;;/h4,10H,2,6H2,1H3;;/q;+1;-1/t4-;;/m0../s1.
What are the key properties of sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride?
sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride has a molecular weight of 187.20 g/mol, XLogP of -3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride is sourced from PubChem (CID 173279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).