(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane

C3H7N2O4S- — CID 57317567

IUPAC(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
SMILESC[C@H](N)C(=O)ONS(=O)[O-]
InChIInChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/p-1/t2-/m0/s1
InChIKeyJBOAYHDFKZIFBF-REOHCLBHSA-M
MW167.17 g/mol
LogP-1.82
Rot. Bonds3

About (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane

(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane (PubChem CID 57317567) has the molecular formula C3H7N2O4S- and a molecular weight of 167.17 g/mol. Its IUPAC name is (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane.

Molecular Properties

Compound Name(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
PubChem CID57317567
Molecular FormulaC3H7N2O4S-
Molecular Weight167.17 g/mol
Exact Mass167.01
IUPAC Name(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
SMILESC[C@H](N)C(=O)ONS(=O)[O-]
InChIInChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/p-1/t2-/m0/s1
InChIKeyJBOAYHDFKZIFBF-REOHCLBHSA-M
XLogP-1.82
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane
CID 57317568
2-methyl-1-oxo-1-(sulfinatoamino)oxypentane
CID 57021720
1-oxo-1-(sulfinatoamino)oxyethane
CID 57283346
methyl 2-aminopropanoate
CID 159707893
1-sulfanylidene-1-(sulfinatoamino)oxyethane
CID 123639787
(sulfinatoamino)oxymethane
CID 21394688
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
aminomethyl (2S)-2-aminopropanoate
CID 139681738
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
methoxycarbonyl sulfite
CID 123953005
CID 86589108
CID 86589108
(2S)-2-aminopropanoate
CID 5460980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane?
The IUPAC name of (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane (CID 57317567) is (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane.
What is the SMILES notation for (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane?
The canonical SMILES for (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane is C[C@H](N)C(=O)ONS(=O)[O-].
What is the InChIKey of (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane?
The InChIKey is JBOAYHDFKZIFBF-REOHCLBHSA-M. The full InChI is InChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/p-1/t2-/m0/s1.
What are the key properties of (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane?
(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane has a molecular weight of 167.17 g/mol, XLogP of -1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane is sourced from PubChem (CID 57317567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).