[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate

C16H28N2O4 — CID 59414047

IUPAC[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCNC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-2-17-15(19)14(12-13-6-4-3-5-7-13)22-16(20)18-8-10-21-11-9-18/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJQVNQFSTOYLLNV-AWEZNQCLSA-N
MW312.41 g/mol
LogP1.93
Rot. Bonds5

About [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate

[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate (PubChem CID 59414047) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
PubChem CID59414047
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESCCNC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C16H28N2O4/c1-2-17-15(19)14(12-13-6-4-3-5-7-13)22-16(20)18-8-10-21-11-9-18/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJQVNQFSTOYLLNV-AWEZNQCLSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59414130
[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 158533309
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
3-cyclobutyl-2-(cyclopentylmethoxy)-N-ethylpropanamide
CID 70911148
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-cyclohexyl-1-oxopropan-2-yl] morpholine-4-carboxylate;methane;sulfane
CID 158117895
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
2-(2-cyclohexylethylamino)-1-morpholin-4-ylethanone
CID 54932421
1-(methylamino)propan-2-yl morpholine-4-carboxylate
CID 79338020
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate (CID 59414047) is [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate is CCNC(=O)[C@H](CC1CCCCC1)OC(=O)N1CCOCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is JQVNQFSTOYLLNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-2-17-15(19)14(12-13-6-4-3-5-7-13)22-16(20)18-8-10-21-11-9-18/h13-14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate?
[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 59414047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).