2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate

C10H20N2O4 — CID 21392400

IUPAC2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate
SMILESC[N+](C)(C)CCO.O=C([O-])N1CCCC1=O
InChIInChI=1S/C5H7NO3.C5H14NO/c7-4-2-1-3-6(4)5(8)9;1-6(2,3)4-5-7/h1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyVXRKJCPFKGXSBO-UHFFFAOYSA-M
MW232.28 g/mol
LogP-1.36
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate

2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate (PubChem CID 21392400) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate
PubChem CID21392400
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate
SMILESC[N+](C)(C)CCO.O=C([O-])N1CCCC1=O
InChIInChI=1S/C5H7NO3.C5H14NO/c7-4-2-1-3-6(4)5(8)9;1-6(2,3)4-5-7/h1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyVXRKJCPFKGXSBO-UHFFFAOYSA-M
XLogP-1.36
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate (CID 21392400) is 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate is C[N+](C)(C)CCO.O=C([O-])N1CCCC1=O.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate?
The InChIKey is VXRKJCPFKGXSBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO3.C5H14NO/c7-4-2-1-3-6(4)5(8)9;1-6(2,3)4-5-7/h1-3H2,(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate?
2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate has a molecular weight of 232.28 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 21392400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).