[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid

C9H17N2O4P — CID 658487

IUPAC[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid
SMILESCN(C=O)CP(=O)(O)CCN1CCCC1=O
InChIInChI=1S/C9H17N2O4P/c1-10(7-12)8-16(14,15)6-5-11-4-2-3-9(11)13/h7H,2-6,8H2,1H3,(H,14,15)
InChIKeyWVHLWURBFSWFDB-UHFFFAOYSA-N
MW248.22 g/mol
LogP-0.08
Rot. Bonds6

About [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid

[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid (PubChem CID 658487) has the molecular formula C9H17N2O4P and a molecular weight of 248.22 g/mol. Its IUPAC name is [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid.

Molecular Properties

Compound Name[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid
PubChem CID658487
Molecular FormulaC9H17N2O4P
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC Name[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid
SMILESCN(C=O)CP(=O)(O)CCN1CCCC1=O
InChIInChI=1S/C9H17N2O4P/c1-10(7-12)8-16(14,15)6-5-11-4-2-3-9(11)13/h7H,2-6,8H2,1H3,(H,14,15)
InChIKeyWVHLWURBFSWFDB-UHFFFAOYSA-N
XLogP-0.08
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N-[2-(2-oxopyrrolidin-1-yl)ethyl]formamide
CID 88601198
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]pyrrolidin-2-one
CID 144760396
2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate
CID 175962032
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
sodium [acetyl(methyl)amino]methyl-[(2-oxopyrrolidin-1-yl)methyl]phosphinate
CID 171118045
N-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide
CID 155217075
1-[2-[5-hydroxypentyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 111122278
acetaldehyde;ethane;1-[2-(methylamino)ethyl]piperidin-2-one
CID 169185862
ethyl (2S)-2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]propanoate
CID 95625759

Frequently Asked Questions

What is the IUPAC name of [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid?
The IUPAC name of [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid (CID 658487) is [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid.
What is the SMILES notation for [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid?
The canonical SMILES for [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid is CN(C=O)CP(=O)(O)CCN1CCCC1=O.
What is the InChIKey of [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid?
The InChIKey is WVHLWURBFSWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O4P/c1-10(7-12)8-16(14,15)6-5-11-4-2-3-9(11)13/h7H,2-6,8H2,1H3,(H,14,15).
What are the key properties of [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid?
[formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid has a molecular weight of 248.22 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [formyl(methyl)amino]methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]phosphinic acid is sourced from PubChem (CID 658487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).