1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 106977361

IUPAC1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-9-15(13(18)19)10-6-11-17(15)14(20)16-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQEDTYLRRBWQYCI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.75
Rot. Bonds4

About 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977361) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977361
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-2-9-15(13(18)19)10-6-11-17(15)14(20)16-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQEDTYLRRBWQYCI-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978629
1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978385
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[(3,3-dimethylcyclohexyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83062877
1-(2-aminocycloheptanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976030
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978485
1-cyclopentyl-2-propylpyrrolidine-2-carboxylic acid
CID 106978679
1-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978859
1-(4-methylpentan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978225
1-(5-methylhexan-2-ylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978436

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977361) is 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QEDTYLRRBWQYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-9-15(13(18)19)10-6-11-17(15)14(20)16-12-7-4-3-5-8-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).