sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate

C9H16N2NaO4P — CID 171118045

IUPACsodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate
SMILESCC(=O)N(C)CP(=O)([O-])CN1CCCC1=O.[Na+]
InChIInChI=1S/C9H17N2O4P.Na/c1-8(12)10(2)6-16(14,15)7-11-5-3-4-9(11)13;/h3-7H2,1-2H3,(H,14,15);/q;+1/p-1
InChIKeyNNTGWJYXXOPJTC-UHFFFAOYSA-M
MW270.20 g/mol
LogP-3.36
Rot. Bonds4

About sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate

sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate (PubChem CID 171118045) has the molecular formula C9H16N2NaO4P and a molecular weight of 270.20 g/mol. Its IUPAC name is sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate.

Molecular Properties

Compound Namesodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate
PubChem CID171118045
Molecular FormulaC9H16N2NaO4P
Molecular Weight270.20 g/mol
Exact Mass270.07
IUPAC Namesodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate
SMILESCC(=O)N(C)CP(=O)([O-])CN1CCCC1=O.[Na+]
InChIInChI=1S/C9H17N2O4P.Na/c1-8(12)10(2)6-16(14,15)7-11-5-3-4-9(11)13;/h3-7H2,1-2H3,(H,14,15);/q;+1/p-1
InChIKeyNNTGWJYXXOPJTC-UHFFFAOYSA-M
XLogP-3.36
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-3.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate?
The IUPAC name of sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate (CID 171118045) is sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate.
What is the SMILES notation for sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate?
The canonical SMILES for sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate is CC(=O)N(C)CP(=O)([O-])CN1CCCC1=O.[Na+].
What is the InChIKey of sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate?
The InChIKey is NNTGWJYXXOPJTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17N2O4P.Na/c1-8(12)10(2)6-16(14,15)7-11-5-3-4-9(11)13;/h3-7H2,1-2H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate?
sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate has a molecular weight of 270.20 g/mol, XLogP of -3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate is sourced from PubChem (CID 171118045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).