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

C4H11N4O5PS — CID 18517101

IUPAC[amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid
SMILESNC1CCN(P(N)(=O)NS(=O)(=O)O)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-1.99
Rot. Bonds3

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

[amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid (PubChem CID 18517101) has the molecular formula C4H11N4O5PS and a molecular weight of 258.20 g/mol. Its IUPAC name is [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid.

Molecular Properties

Compound Name[amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid
PubChem CID18517101
Molecular FormulaC4H11N4O5PS
Molecular Weight258.20 g/mol
Exact Mass258.02
IUPAC Name[amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid
SMILESNC1CCN(P(N)(=O)NS(=O)(=O)O)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-1.99
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid?
The IUPAC name of [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid (CID 18517101) is [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid.
What is the SMILES notation for [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid?
The canonical SMILES for [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid is NC1CCN(P(N)(=O)NS(=O)(=O)O)C1=O.
What is the InChIKey of [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]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 [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid?
[amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid has a molecular weight of 258.20 g/mol, XLogP of -1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid is sourced from PubChem (CID 18517101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).