2-morpholin-4-ylpyrrolidine-1-carboxylic acid

C9H16N2O3 — CID 67984692

IUPAC2-morpholin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1N1CCOCC1
InChIInChI=1S/C9H16N2O3/c12-9(13)11-3-1-2-8(11)10-4-6-14-7-5-10/h8H,1-7H2,(H,12,13)
InChIKeyJVQBCTVOKWHWRP-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.42
Rot. Bonds1

About 2-morpholin-4-ylpyrrolidine-1-carboxylic acid

2-morpholin-4-ylpyrrolidine-1-carboxylic acid (PubChem CID 67984692) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-morpholin-4-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-ylpyrrolidine-1-carboxylic acid
PubChem CID67984692
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-morpholin-4-ylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1N1CCOCC1
InChIInChI=1S/C9H16N2O3/c12-9(13)11-3-1-2-8(11)10-4-6-14-7-5-10/h8H,1-7H2,(H,12,13)
InChIKeyJVQBCTVOKWHWRP-UHFFFAOYSA-N
XLogP0.42
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-ylpyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-morpholin-4-ylpyrrolidine-1-carboxylic acid (CID 67984692) is 2-morpholin-4-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-morpholin-4-ylpyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylpyrrolidine-1-carboxylic acid?
The InChIKey is JVQBCTVOKWHWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-9(13)11-3-1-2-8(11)10-4-6-14-7-5-10/h8H,1-7H2,(H,12,13).
What are the key properties of 2-morpholin-4-ylpyrrolidine-1-carboxylic acid?
2-morpholin-4-ylpyrrolidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67984692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).