ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate

C16H30N2O3 — CID 79576046

IUPACethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCN1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-3-17-16(15(19)21-4-2)8-5-6-14(16)7-9-18-10-12-20-13-11-18/h14,17H,3-13H2,1-2H3
InChIKeySPTLKSSDNSDADF-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds7

About ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate

ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate (PubChem CID 79576046) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
PubChem CID79576046
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCCC1CCN1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-3-17-16(15(19)21-4-2)8-5-6-14(16)7-9-18-10-12-20-13-11-18/h14,17H,3-13H2,1-2H3
InChIKeySPTLKSSDNSDADF-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-morpholin-4-ylethyl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79575876
ethyl 1-(ethylamino)-2-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571764
2-(2-morpholin-4-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79576444
methyl 2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79573398
ethyl 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79576464
ethyl 1-amino-2-[2-(2-methylmorpholin-4-yl)ethyl]cyclopentane-1-carboxylate
CID 79577577
1-(ethylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572796
ethyl 1-(methylamino)-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79567356
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 104960352
1-(ethylamino)-2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79572494
methyl 1-(ethylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79571908

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate (CID 79576046) is ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCCC1CCN1CCOCC1.
What is the InChIKey of ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate?
The InChIKey is SPTLKSSDNSDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-17-16(15(19)21-4-2)8-5-6-14(16)7-9-18-10-12-20-13-11-18/h14,17H,3-13H2,1-2H3.
What are the key properties of ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-2-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79576046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).