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

C12H20N2O4 — CID 82743066

IUPAC3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC(C)(C(=O)O)C1)C1CCOC1
InChIInChI=1S/C12H20N2O4/c1-12(10(15)16)4-5-14(8-12)11(17)13(2)9-3-6-18-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyAAVQSGLAOLCOGZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.62
Rot. Bonds2

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

3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 82743066) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID82743066
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN(C(=O)N1CCC(C)(C(=O)O)C1)C1CCOC1
InChIInChI=1S/C12H20N2O4/c1-12(10(15)16)4-5-14(8-12)11(17)13(2)9-3-6-18-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyAAVQSGLAOLCOGZ-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63124377
1-[methyl(oxan-4-yl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 146121328
1-[(2-hydroxycyclohexyl)-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 102633364
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165966
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564
4-methyl-1-[methyl(thiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63123798
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-methyl-1-[(3-methyloxan-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014064
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 82743066) is 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CN(C(=O)N1CCC(C)(C(=O)O)C1)C1CCOC1.
What is the InChIKey of 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AAVQSGLAOLCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(10(15)16)4-5-14(8-12)11(17)13(2)9-3-6-18-7-9/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(oxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82743066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).