1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 102781990

IUPAC1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCN(C)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8-4-5-13(9(8)10(14)15)11(16)12(2)6-7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyKFYZAURMEOLGSO-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.48
Rot. Bonds4

About 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781990) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781990
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOCCN(C)C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8-4-5-13(9(8)10(14)15)11(16)12(2)6-7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyKFYZAURMEOLGSO-UHFFFAOYSA-N
XLogP0.48
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782407
4-hydroxy-1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61428576
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782010
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783007
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102781990) is 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is COCCN(C)C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KFYZAURMEOLGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-4-5-13(9(8)10(14)15)11(16)12(2)6-7-17-3/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).