1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

C16H30N2O2 — CID 114596405

IUPAC1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C16H30N2O2/c1-5-17-16(15(19)20)7-6-14(9-16)18-10-11(2)8-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyYSBVYFDYAPCCNZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds4

About 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid

1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 114596405) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID114596405
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C16H30N2O2/c1-5-17-16(15(19)20)7-6-14(9-16)18-10-11(2)8-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20)
InChIKeyYSBVYFDYAPCCNZ-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641319
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-amino-3-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114596385
1-(ethylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 102966325
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79651615
3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
1-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 102886193
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
1-(propylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 114596275

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 114596405) is 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N2CC(C)CC(C)C2C)C1.
What is the InChIKey of 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is YSBVYFDYAPCCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-17-16(15(19)20)7-6-14(9-16)18-10-11(2)8-12(3)13(18)4/h11-14,17H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114596405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).