1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 106978629

IUPAC1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H28N2O3/c1-4-7-16(13(19)20)8-5-10-18(16)14(21)17-12-6-9-15(2,3)11-12/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyGWCOQJASCRNSKH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978629) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978629
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C16H28N2O3/c1-4-7-16(13(19)20)8-5-10-18(16)14(21)17-12-6-9-15(2,3)11-12/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyGWCOQJASCRNSKH-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
1-[(3,3-dimethylcyclohexyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83062877
1-[(1-methylcyclobutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978579
1-[(2-methoxycyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978385
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-[3-(cyclopropylamino)propanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976071
1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978366
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978357
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978485

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978629) is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GWCOQJASCRNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-7-16(13(19)20)8-5-10-18(16)14(21)17-12-6-9-15(2,3)11-12/h12H,4-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).