4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 102744923

IUPAC4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CC(C)(C)OC(C)(C)C2)CC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10-6-16(7-11(10)12(18)19)13(20)17-8-14(2,3)21-15(4,5)9-17/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyJSWRCMWXYBWGHF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds1

About 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 102744923) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID102744923
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CC(C)(C)OC(C)(C)C2)CC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10-6-16(7-11(10)12(18)19)13(20)17-8-14(2,3)21-15(4,5)9-17/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyJSWRCMWXYBWGHF-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 102744970
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 102744940
(3S,4S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98539048
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743359
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920
(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102744949
6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 102743089
(3S,4S)-1-(4-ethylpiperazine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085861
4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 103500429
4-methyl-1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55230911
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 102744917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 102744923) is 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)N2CC(C)(C)OC(C)(C)C2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JSWRCMWXYBWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-6-16(7-11(10)12(18)19)13(20)17-8-14(2,3)21-15(4,5)9-17/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102744923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).