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

C9H18N2O4 — CID 70633646

IUPAC1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
SMILESCC(O)N(C)C.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C4H11NO/c7-4-2-1-3-6(4)5(8)9;1-4(6)5(2)3/h1-3H2,(H,8,9);4,6H,1-3H3
InChIKeyXOMFVFZVDQTLKJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.17
Rot. Bonds1

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

1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid (PubChem CID 70633646) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
PubChem CID70633646
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid
SMILESCC(O)N(C)C.O=C(O)N1CCCC1=O
InChIInChI=1S/C5H7NO3.C4H11NO/c7-4-2-1-3-6(4)5(8)9;1-4(6)5(2)3/h1-3H2,(H,8,9);4,6H,1-3H3
InChIKeyXOMFVFZVDQTLKJ-UHFFFAOYSA-N
XLogP0.17
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The IUPAC name of 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid (CID 70633646) is 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid is CC(O)N(C)C.O=C(O)N1CCCC1=O.
What is the InChIKey of 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
The InChIKey is XOMFVFZVDQTLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.C4H11NO/c7-4-2-1-3-6(4)5(8)9;1-4(6)5(2)3/h1-3H2,(H,8,9);4,6H,1-3H3.
What are the key properties of 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid?
1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethanol;2-oxopyrrolidine-1-carboxylic acid is sourced from PubChem (CID 70633646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).