1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 63145607

IUPAC1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC2CCC(C)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-8-16(14(19)20)9-10-18(11-16)15(21)17-13-6-4-12(2)5-7-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUBDNJCYSLAMBHL-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145607) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145607
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NC2CCC(C)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-3-8-16(14(19)20)9-10-18(11-16)15(21)17-13-6-4-12(2)5-7-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyUBDNJCYSLAMBHL-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63136658
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 55165973
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-(oxan-3-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63361782
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-[3-(methylamino)propylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149331
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941
1-(3-methylpentan-2-ylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147482
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63145607) is 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NC2CCC(C)CC2)C1.
What is the InChIKey of 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UBDNJCYSLAMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-8-16(14(19)20)9-10-18(11-16)15(21)17-13-6-4-12(2)5-7-13/h12-13H,3-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).