2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 82742275

IUPAC2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-10(5-8-19-9)14(3)12(18)15-7-4-6-13(15,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyQFQORTOFZURUHI-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82742275) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID82742275
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-10(5-8-19-9)14(3)12(18)15-7-4-6-13(15,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17)
InChIKeyQFQORTOFZURUHI-UHFFFAOYSA-N
XLogP1.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
CID 104597985
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 82741951
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425828
3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 82730720
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 138028545
2-methyl-1-[methyl(2-methylsulfonylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79863871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 82742275) is 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1OCCC1N(C)C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QFQORTOFZURUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-10(5-8-19-9)14(3)12(18)15-7-4-6-13(15,2)11(16)17/h9-10H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82742275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).