3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 104937291

IUPAC3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCOCC2)C1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8-2-3-13(9(8)10(14)15)11(16)12-4-6-17-7-5-12/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyJCBOAGDGTKBVSR-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.23
Rot. Bonds1

About 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104937291) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104937291
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCOCC2)C1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-8-2-3-13(9(8)10(14)15)11(16)12-4-6-17-7-5-12/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyJCBOAGDGTKBVSR-UHFFFAOYSA-N
XLogP0.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-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

Related Compounds

3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102781941
1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781678
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
[(2S)-1,3-dimethylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 142300145
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 104937291) is 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N2CCOCC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JCBOAGDGTKBVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-8-2-3-13(9(8)10(14)15)11(16)12-4-6-17-7-5-12/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104937291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).