1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid

C11H22N2O4 — CID 70634250

IUPAC1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
SMILESCCN(CC)C(C)O.O=C(O)N1CCCC1=O
InChIInChI=1S/C6H15NO.C5H7NO3/c1-4-7(5-2)6(3)8;7-4-2-1-3-6(4)5(8)9/h6,8H,4-5H2,1-3H3;1-3H2,(H,8,9)
InChIKeyRLRJCVQBPSIJNZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.95
Rot. Bonds3

About 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid

1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid (PubChem CID 70634250) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
PubChem CID70634250
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
SMILESCCN(CC)C(C)O.O=C(O)N1CCCC1=O
InChIInChI=1S/C6H15NO.C5H7NO3/c1-4-7(5-2)6(3)8;7-4-2-1-3-6(4)5(8)9/h6,8H,4-5H2,1-3H3;1-3H2,(H,8,9)
InChIKeyRLRJCVQBPSIJNZ-UHFFFAOYSA-N
XLogP0.95
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-Hydroxyethyl)pyrrolidin-2-one
CID 13797250
Tetramethylammonium pyrrolidonate
CID 129695632
Carbonic acid;1-methylpyrrolidin-2-one
CID 17804064
2-(2-Hydroxyethoxy)ethanol;methyl acetate;1-methylpyrrolidin-2-one
CID 17900285
EtOH NMP
CID 18313719
2-[Bis(2-hydroxyethyl)amino]ethanol;2-oxopyrrolidine-1-carboxylic acid
CID 20446910
2-Hydroxyethyl(trimethyl)azanium;2-oxopyrrolidine-1-carboxylate
CID 21392400
1-Methylpyrrolidin-2-one;propan-1-ol
CID 22151758
2-[Bis(2-hydroxyethyl)amino]ethanol;1-methylpyrrolidin-2-one
CID 22253698
1-(1-Hydroxyethyl)pyrrolidin-2-one;1-(1-hydroxypropyl)pyrrolidin-2-one
CID 23201031
2-[Bis(2-hydroxyethoxy)amino]oxyethanol;1-methylpyrrolidin-2-one
CID 66730630
Ethoxyethane;2-oxopyrrolidine-1-carboxylic acid
CID 66784725

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid (CID 70634250) is 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid is CCN(CC)C(C)O.O=C(O)N1CCCC1=O.
What is the InChIKey of 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is RLRJCVQBPSIJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C5H7NO3/c1-4-7(5-2)6(3)8;7-4-2-1-3-6(4)5(8)9/h6,8H,4-5H2,1-3H3;1-3H2,(H,8,9).
What are the key properties of 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 70634250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).