1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid

C12H20N2O4 — CID 3146691

IUPAC1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c15-11-8-10(12(16)17)9-14(11)3-1-2-13-4-6-18-7-5-13/h10H,1-9H2,(H,16,17)
InChIKeyJKSUFEIQXUHPSY-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.36
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid

1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 3146691) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID3146691
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C12H20N2O4/c15-11-8-10(12(16)17)9-14(11)3-1-2-13-4-6-18-7-5-13/h10H,1-9H2,(H,16,17)
InChIKeyJKSUFEIQXUHPSY-UHFFFAOYSA-N
XLogP-0.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 3146691) is 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JKSUFEIQXUHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11-8-10(12(16)17)9-14(11)3-1-2-13-4-6-18-7-5-13/h10H,1-9H2,(H,16,17).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 3146691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).