(2-oxopyrrolidin-3-yl)phosphonic acid

C4H8NO4P — CID 19906170

IUPAC(2-oxopyrrolidin-3-yl)phosphonic acid
SMILESO=C1NCCC1P(=O)(O)O
InChIInChI=1S/C4H8NO4P/c6-4-3(1-2-5-4)10(7,8)9/h3H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyBERIIMWXSJYYJT-UHFFFAOYSA-N
MW165.08 g/mol
LogP-0.95
Rot. Bonds1

About (2-oxopyrrolidin-3-yl)phosphonic acid

(2-oxopyrrolidin-3-yl)phosphonic acid (PubChem CID 19906170) has the molecular formula C4H8NO4P and a molecular weight of 165.08 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl)phosphonic acid.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl)phosphonic acid
PubChem CID19906170
Molecular FormulaC4H8NO4P
Molecular Weight165.08 g/mol
Exact Mass165.02
IUPAC Name(2-oxopyrrolidin-3-yl)phosphonic acid
SMILESO=C1NCCC1P(=O)(O)O
InChIInChI=1S/C4H8NO4P/c6-4-3(1-2-5-4)10(7,8)9/h3H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKeyBERIIMWXSJYYJT-UHFFFAOYSA-N
XLogP-0.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphorylpyrrolidin-2-one;oxalyl dichloride
CID 88508163
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid
CID 15598013
(3R)-2-oxopyrrolidine-3-carboxylic acid
CID 92974819
[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid
CID 15598006
(2-oxopyrrolidin-3-yl)azanium
CID 21337749
3-aminopyrrolidin-2-one
CID 158709416
3-sulfanylpyrrolidin-2-one
CID 19797264
3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 175917702
3,4-dibromopiperidin-2-one
CID 67271185
3,4-diiodopiperidin-2-one
CID 67270364

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-3-yl)phosphonic acid?
The IUPAC name of (2-oxopyrrolidin-3-yl)phosphonic acid (CID 19906170) is (2-oxopyrrolidin-3-yl)phosphonic acid.
What is the SMILES notation for (2-oxopyrrolidin-3-yl)phosphonic acid?
The canonical SMILES for (2-oxopyrrolidin-3-yl)phosphonic acid is O=C1NCCC1P(=O)(O)O.
What is the InChIKey of (2-oxopyrrolidin-3-yl)phosphonic acid?
The InChIKey is BERIIMWXSJYYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO4P/c6-4-3(1-2-5-4)10(7,8)9/h3H,1-2H2,(H,5,6)(H2,7,8,9).
What are the key properties of (2-oxopyrrolidin-3-yl)phosphonic acid?
(2-oxopyrrolidin-3-yl)phosphonic acid has a molecular weight of 165.08 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-3-yl)phosphonic acid is sourced from PubChem (CID 19906170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).