1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine

C7H12N3O4S- — CID 57426078

IUPAC1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine
SMILESCC(C(N)=O)N1CCC(NS(=O)[O-])C1=O
InChIInChI=1S/C7H13N3O4S/c1-4(6(8)11)10-3-2-5(7(10)12)9-15(13)14/h4-5,9H,2-3H2,1H3,(H2,8,11)(H,13,14)/p-1
InChIKeyLJQXVJVNXNKBQA-UHFFFAOYSA-M
MW234.26 g/mol
LogP-2.16
Rot. Bonds4

About 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine

1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine (PubChem CID 57426078) has the molecular formula C7H12N3O4S- and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine
PubChem CID57426078
Molecular FormulaC7H12N3O4S-
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC Name1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine
SMILESCC(C(N)=O)N1CCC(NS(=O)[O-])C1=O
InChIInChI=1S/C7H13N3O4S/c1-4(6(8)11)10-3-2-5(7(10)12)9-15(13)14/h4-5,9H,2-3H2,1H3,(H2,8,11)(H,13,14)/p-1
InChIKeyLJQXVJVNXNKBQA-UHFFFAOYSA-M
XLogP-2.16
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine (CID 57426078) is 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine is CC(C(N)=O)N1CCC(NS(=O)[O-])C1=O.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine?
The InChIKey is LJQXVJVNXNKBQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13N3O4S/c1-4(6(8)11)10-3-2-5(7(10)12)9-15(13)14/h4-5,9H,2-3H2,1H3,(H2,8,11)(H,13,14)/p-1.
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine?
1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine has a molecular weight of 234.26 g/mol, XLogP of -2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine is sourced from PubChem (CID 57426078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).