3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 55166161

IUPAC3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)4-8-16(10-13)12(19)14-5-9-15-6-2-3-7-15/h2-10H2,1H3,(H,14,19)(H,17,18)
InChIKeyIXMMXIFFEJQWBJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 55166161) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID55166161
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCN2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-13(11(17)18)4-8-16(10-13)12(19)14-5-9-15-6-2-3-7-15/h2-10H2,1H3,(H,14,19)(H,17,18)
InChIKeyIXMMXIFFEJQWBJ-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
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3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
1-(3-methoxypropylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63149085
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
3-methyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63135714
3-methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011451
3-methyl-1-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145628
3-methyl-1-[(1-methylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 114108736
1-[4-(dimethylamino)butylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137282
3-methyl-1-(3-propoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 82944645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 55166161) is 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCN2CCCC2)C1.
What is the InChIKey of 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IXMMXIFFEJQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(11(17)18)4-8-16(10-13)12(19)14-5-9-15-6-2-3-7-15/h2-10H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55166161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).