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

C5H13N4O5PS — CID 20594534

IUPAC[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
SMILESCNC1CCN(P(N)(=O)NS(=O)(=O)O)C1=O
InChIInChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14)
InChIKeyOSFCGXKFIDTMLZ-UHFFFAOYSA-N
MW272.22 g/mol
LogP-1.73
Rot. Bonds4

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

[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid (PubChem CID 20594534) has the molecular formula C5H13N4O5PS and a molecular weight of 272.22 g/mol. Its IUPAC name is [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid.

Molecular Properties

Compound Name[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
PubChem CID20594534
Molecular FormulaC5H13N4O5PS
Molecular Weight272.22 g/mol
Exact Mass272.03
IUPAC Name[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
SMILESCNC1CCN(P(N)(=O)NS(=O)(=O)O)C1=O
InChIInChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14)
InChIKeyOSFCGXKFIDTMLZ-UHFFFAOYSA-N
XLogP-1.73
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-1.73
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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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
N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate
CID 20594537
1-Diaminophosphoryl-3-(methylamino)pyrrolidin-2-one
CID 20594538
[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
[(3-Amino-2-oxopyrrolidin-1-yl)-hydroxyphosphinimyl]sulfamic acid
CID 90955754
[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

Frequently Asked Questions

What is the IUPAC name of [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid?
The IUPAC name of [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid (CID 20594534) is [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid.
What is the SMILES notation for [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid?
The canonical SMILES for [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid is CNC1CCN(P(N)(=O)NS(=O)(=O)O)C1=O.
What is the InChIKey of [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid?
The InChIKey is OSFCGXKFIDTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14).
What are the key properties of [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid?
[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid has a molecular weight of 272.22 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid is sourced from PubChem (CID 20594534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).