1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 63147981

IUPAC1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-4-3-5-7-12)16-14(20)17-9-8-15(2,10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBQDBNJBCZPZHJF-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147981) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147981
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-11(12-6-4-3-5-7-12)16-14(20)17-9-8-15(2,10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBQDBNJBCZPZHJF-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145468
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124682258
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629
1-[[cyclopentyl-(2-fluorophenyl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005991
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
1-(3,3-difluorobutan-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122080139
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
3-methyl-1-[1-(oxan-4-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004734
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149031

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63147981) is 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid is CC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is BQDBNJBCZPZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(12-6-4-3-5-7-12)16-14(20)17-9-8-15(2,10-17)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).