1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid

C16H27NO3 — CID 107175943

IUPAC1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C2CCCC2(C)C)C(C(=O)O)C1
InChIInChI=1S/C16H27NO3/c1-4-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12,2)3/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyOUOLOBKKWJTVEB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid

1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 107175943) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID107175943
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)C2CCCC2(C)C)C(C(=O)O)C1
InChIInChI=1S/C16H27NO3/c1-4-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12,2)3/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyOUOLOBKKWJTVEB-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114430577
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135
1-(1,1-dioxothiolane-3-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427094
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430456
4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
CID 114427226
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid (CID 107175943) is 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)C2CCCC2(C)C)C(C(=O)O)C1.
What is the InChIKey of 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is OUOLOBKKWJTVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12,2)3/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid?
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107175943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).