[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid

C4H11N4O5PS — CID 90955754

IUPAC[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid
SMILES[H]N=P(O)(NS(=O)(=O)O)N1CCC(N)C1=O
InChIInChI=1S/C4H11N4O5PS/c5-3-1-2-8(4(3)9)14(6,10)7-15(11,12)13/h3H,1-2,5H2,(H3,6,7,10)(H,11,12,13)
InChIKeyJBIDJRMGLVTFNL-UHFFFAOYSA-N
MW258.20 g/mol
LogP-1.54
Rot. Bonds3

About [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid

[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid (PubChem CID 90955754) has the molecular formula C4H11N4O5PS and a molecular weight of 258.20 g/mol. Its IUPAC name is [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid.

Molecular Properties

Compound Name[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid
PubChem CID90955754
Molecular FormulaC4H11N4O5PS
Molecular Weight258.20 g/mol
Exact Mass258.02
IUPAC Name[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid
SMILES[H]N=P(O)(NS(=O)(=O)O)N1CCC(N)C1=O
InChIInChI=1S/C4H11N4O5PS/c5-3-1-2-8(4(3)9)14(6,10)7-15(11,12)13/h3H,1-2,5H2,(H3,6,7,10)(H,11,12,13)
InChIKeyJBIDJRMGLVTFNL-UHFFFAOYSA-N
XLogP-1.54
TPSA156.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-1.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 9838024
[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 11334394
[Amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid
CID 18517101
[Amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 20594534
N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate
CID 20594537
[1-[Amino-(sulfoamino)phosphoryl]-2-oxopyrrolidin-3-yl]azanide;yttrium
CID 57679126
[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87481526
[amino-[(3R)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87481656
[amino-[(3R)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87482702
[amino-[(3R)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 91308305
N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate;methane
CID 157845058
2-Oxo-3-(sulfinoamino)pyrrolidine
CID 57421541

Frequently Asked Questions

What is the IUPAC name of [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid?
The IUPAC name of [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid (CID 90955754) is [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid.
What is the SMILES notation for [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid?
The canonical SMILES for [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid is [H]N=P(O)(NS(=O)(=O)O)N1CCC(N)C1=O.
What is the InChIKey of [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid?
The InChIKey is JBIDJRMGLVTFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N4O5PS/c5-3-1-2-8(4(3)9)14(6,10)7-15(11,12)13/h3H,1-2,5H2,(H3,6,7,10)(H,11,12,13).
What are the key properties of [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid?
[(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid has a molecular weight of 258.20 g/mol, XLogP of -1.54, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid is sourced from PubChem (CID 90955754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).