methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

C16H30N2O3 — CID 79645895

IUPACmethyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCC1COCCN1C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-5-13-11-21-9-8-18(13)14-6-7-16(10-14,15(19)20-4)17-12(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyIVSCNNKLANIEKQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds5

About methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate

methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (PubChem CID 79645895) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
PubChem CID79645895
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
SMILESCCC1COCCN1C1CCC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C16H30N2O3/c1-5-13-11-21-9-8-18(13)14-6-7-16(10-14,15(19)20-4)17-12(2)3/h12-14,17H,5-11H2,1-4H3
InChIKeyIVSCNNKLANIEKQ-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626631
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79645896
methyl 3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649532
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79654810
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79627803
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
1-(cyclopropylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carbonitrile
CID 79638552
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
3-(4-ethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651186
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate (CID 79645895) is methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is CCC1COCCN1C1CCC(NC(C)C)(C(=O)OC)C1.
What is the InChIKey of methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
The InChIKey is IVSCNNKLANIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-13-11-21-9-8-18(13)14-6-7-16(10-14,15(19)20-4)17-12(2)3/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate?
methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).