2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

C15H25NO3 — CID 114511965

IUPAC2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C15H25NO3/c1-4-10-7-11(12(8-10)14(18)19)13(17)16-6-5-15(2,3)9-16/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyRBYXFSLQCZQIJR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds3

About 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid

2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511965) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511965
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N2CCC(C)(C)C2)C1
InChIInChI=1S/C15H25NO3/c1-4-10-7-11(12(8-10)14(18)19)13(17)16-6-5-15(2,3)9-16/h10-12H,4-9H2,1-3H3,(H,18,19)
InChIKeyRBYXFSLQCZQIJR-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(3,3,4-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114511814
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
2-(4-acetylpiperazine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511249
4-ethyl-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511446
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 102706831
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317961
2-(3-hydroxy-3-methylazetidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 107214527
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092072
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid (CID 114511965) is 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N2CCC(C)(C)C2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is RBYXFSLQCZQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-10-7-11(12(8-10)14(18)19)13(17)16-6-5-15(2,3)9-16/h10-12H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid?
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).