1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79651615

IUPAC1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-5-16-15(13(18)19)7-6-12(8-15)17-9-11(2)20-14(3,4)10-17/h11-12,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyTYNCPYRIVWNVFE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds4

About 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid

1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651615) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
PubChem CID79651615
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N2CC(C)OC(C)(C)C2)C1
InChIInChI=1S/C15H28N2O3/c1-5-16-15(13(18)19)7-6-12(8-15)17-9-11(2)20-14(3,4)10-17/h11-12,16H,5-10H2,1-4H3,(H,18,19)
InChIKeyTYNCPYRIVWNVFE-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-(propan-2-ylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxamide
CID 79647708
1-(ethylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 102966325
3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655710
1-(ethylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651051
1-(ethylamino)-3-(2,3,5-trimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 114596405
1-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 106588655
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 82751462
1-(ethylamino)-3-(2-methylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79651601
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641319
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid (CID 79651615) is 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N2CC(C)OC(C)(C)C2)C1.
What is the InChIKey of 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is TYNCPYRIVWNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-16-15(13(18)19)7-6-12(8-15)17-9-11(2)20-14(3,4)10-17/h11-12,16H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2,2,6-trimethylmorpholin-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).