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

C12H20N2O4 — CID 79383557

IUPAC2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C(=O)O)C2C)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-7-13(5-6-18-8)12(17)14-4-3-10(9(14)2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBYHGEHHVFNMHME-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds1

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

2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79383557) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79383557
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N2CCC(C(=O)O)C2C)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-7-13(5-6-18-8)12(17)14-4-3-10(9(14)2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyBYHGEHHVFNMHME-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383287
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920
2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 79377877
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 79383557) is 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)N2CCC(C(=O)O)C2C)CCO1.
What is the InChIKey of 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BYHGEHHVFNMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-7-13(5-6-18-8)12(17)14-4-3-10(9(14)2)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).