(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid

C4H9N2O4P — CID 85423754

IUPAC(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid
SMILESNN1C(=O)CCC1P(=O)(O)O
InChIInChI=1S/C4H9N2O4P/c5-6-3(7)1-2-4(6)11(8,9)10/h4H,1-2,5H2,(H2,8,9,10)
InChIKeyBYMODDJFYZJPEP-UHFFFAOYSA-N
MW180.10 g/mol
LogP-1.01
Rot. Bonds1

About (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid

(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid (PubChem CID 85423754) has the molecular formula C4H9N2O4P and a molecular weight of 180.10 g/mol. Its IUPAC name is (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid
PubChem CID85423754
Molecular FormulaC4H9N2O4P
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid
SMILESNN1C(=O)CCC1P(=O)(O)O
InChIInChI=1S/C4H9N2O4P/c5-6-3(7)1-2-4(6)11(8,9)10/h4H,1-2,5H2,(H2,8,9,10)
InChIKeyBYMODDJFYZJPEP-UHFFFAOYSA-N
XLogP-1.01
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-methoxypyrrolidin-2-one
CID 123886673
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
1-amino-5-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 174891244
(3-oxocyclopentyl)phosphonic acid
CID 22644556
(2-oxopyrrolidin-1-yl) dihydrogen phosphate
CID 67651665
1-tert-butyl-5-oxopyrrolidine-2-carboxamide
CID 76802841
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 85231054
ethyl (2S)-1-carbamothioyl-5-oxopyrrolidine-2-carboxylate
CID 45118614
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
CID 4714731

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid?
The IUPAC name of (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid (CID 85423754) is (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid.
What is the SMILES notation for (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid?
The canonical SMILES for (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid is NN1C(=O)CCC1P(=O)(O)O.
What is the InChIKey of (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid?
The InChIKey is BYMODDJFYZJPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O4P/c5-6-3(7)1-2-4(6)11(8,9)10/h4H,1-2,5H2,(H2,8,9,10).
What are the key properties of (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid?
(1-amino-5-oxopyrrolidin-2-yl)phosphonic acid has a molecular weight of 180.10 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-oxopyrrolidin-2-yl)phosphonic acid is sourced from PubChem (CID 85423754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).