[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid

C9H17N2O5P — CID 15598006

IUPAC[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN(C(C)=O)C1CCNC1=O
InChIInChI=1S/C9H17N2O5P/c1-3-16-17(14,15)6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyYRMAXLQMAKTAOO-UHFFFAOYSA-N
MW264.22 g/mol
LogP-0.10
Rot. Bonds5

About [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid

[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid (PubChem CID 15598006) has the molecular formula C9H17N2O5P and a molecular weight of 264.22 g/mol. Its IUPAC name is [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid
PubChem CID15598006
Molecular FormulaC9H17N2O5P
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN(C(C)=O)C1CCNC1=O
InChIInChI=1S/C9H17N2O5P/c1-3-16-17(14,15)6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyYRMAXLQMAKTAOO-UHFFFAOYSA-N
XLogP-0.10
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid?
The IUPAC name of [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid (CID 15598006) is [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid.
What is the SMILES notation for [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid?
The canonical SMILES for [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid is CCOP(=O)(O)CN(C(C)=O)C1CCNC1=O.
What is the InChIKey of [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid?
The InChIKey is YRMAXLQMAKTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O5P/c1-3-16-17(14,15)6-11(7(2)12)8-4-5-10-9(8)13/h8H,3-6H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid?
[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid has a molecular weight of 264.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid is sourced from PubChem (CID 15598006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).