3-amino-1-diaminophosphorylpyrrolidin-2-one

C4H11N4O2P — CID 23062782

IUPAC3-amino-1-diaminophosphorylpyrrolidin-2-one
SMILESNC1CCN(P(N)(N)=O)C1=O
InChIInChI=1S/C4H11N4O2P/c5-3-1-2-8(4(3)9)11(6,7)10/h3H,1-2,5H2,(H4,6,7,10)
InChIKeyJAYMBAADTILVBQ-UHFFFAOYSA-N
MW178.13 g/mol
LogP-1.43
Rot. Bonds1

About 3-amino-1-diaminophosphorylpyrrolidin-2-one

3-amino-1-diaminophosphorylpyrrolidin-2-one (PubChem CID 23062782) has the molecular formula C4H11N4O2P and a molecular weight of 178.13 g/mol. Its IUPAC name is 3-amino-1-diaminophosphorylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-diaminophosphorylpyrrolidin-2-one
PubChem CID23062782
Molecular FormulaC4H11N4O2P
Molecular Weight178.13 g/mol
Exact Mass178.06
IUPAC Name3-amino-1-diaminophosphorylpyrrolidin-2-one
SMILESNC1CCN(P(N)(N)=O)C1=O
InChIInChI=1S/C4H11N4O2P/c5-3-1-2-8(4(3)9)11(6,7)10/h3H,1-2,5H2,(H4,6,7,10)
InChIKeyJAYMBAADTILVBQ-UHFFFAOYSA-N
XLogP-1.43
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-diaminophosphorylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-diaminophosphorylpyrrolidin-2-one (CID 23062782) is 3-amino-1-diaminophosphorylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-diaminophosphorylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-diaminophosphorylpyrrolidin-2-one is NC1CCN(P(N)(N)=O)C1=O.
What is the InChIKey of 3-amino-1-diaminophosphorylpyrrolidin-2-one?
The InChIKey is JAYMBAADTILVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N4O2P/c5-3-1-2-8(4(3)9)11(6,7)10/h3H,1-2,5H2,(H4,6,7,10).
What are the key properties of 3-amino-1-diaminophosphorylpyrrolidin-2-one?
3-amino-1-diaminophosphorylpyrrolidin-2-one has a molecular weight of 178.13 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-diaminophosphorylpyrrolidin-2-one is sourced from PubChem (CID 23062782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).