2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

C16H30N2O3 — CID 79564865

IUPAC2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC1COC(C)CN1CCC1CCCC1(NC)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-14-11-21-12(2)10-18(14)9-7-13-6-5-8-16(13,17-3)15(19)20/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyHKDIKKNPWXMFDO-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.72
Rot. Bonds6

About 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid

2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79564865) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79564865
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCCC1COC(C)CN1CCC1CCCC1(NC)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-14-11-21-12(2)10-18(14)9-7-13-6-5-8-16(13,17-3)15(19)20/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyHKDIKKNPWXMFDO-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571316
methyl 2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79565986
2-[2-(2-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 104691569
2-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564394
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 115561490
2-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79564307
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
4-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63054307
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865
2-[2-(2-methylmorpholin-4-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79577294
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
[1-amino-2-[2-(2,5-dimethylmorpholin-4-yl)ethyl]cyclopentyl]methanol
CID 79571094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79564865) is 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is CCC1COC(C)CN1CCC1CCCC1(NC)C(=O)O.
What is the InChIKey of 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HKDIKKNPWXMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-14-11-21-12(2)10-18(14)9-7-13-6-5-8-16(13,17-3)15(19)20/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid?
2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79564865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).