1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 83063989

IUPAC1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-16(14(19)20)10-6-12-18(16)15(21)17-11-9-13-7-4-3-5-8-13/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyFLLOJWUARCTIIU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83063989) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83063989
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-16(14(19)20)10-6-12-18(16)15(21)17-11-9-13-7-4-3-5-8-13/h13H,2-12H2,1H3,(H,17,21)(H,19,20)
InChIKeyFLLOJWUARCTIIU-UHFFFAOYSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071053
2-ethyl-1-[(3-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103997094
2-ethyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644891
1-(2-carbamoyloxyethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83203913
2-ethyl-1-(4-methylsulfanylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363999
2-ethyl-1-(2-methylprop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 114617998
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071140
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[(3,3-dimethylcyclohexyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83062877
2-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070246

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 83063989) is 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is FLLOJWUARCTIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-16(14(19)20)10-6-12-18(16)15(21)17-11-9-13-7-4-3-5-8-13/h13H,2-12H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethylcarbamoyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).