[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate

C19H30N2O6 — CID 158533309

IUPAC[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H]1OCC(=O)[C@@H]1NC(=O)C(CC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C19H30N2O6/c1-13-17(15(22)12-26-13)20-18(23)16(11-14-5-3-2-4-6-14)27-19(24)21-7-9-25-10-8-21/h13-14,16-17H,2-12H2,1H3,(H,20,23)/t13-,16?,17+/m0/s1
InChIKeyHNQITGKUBUSZAI-FANOUJGOSA-N
MW382.46 g/mol
LogP1.27
Rot. Bonds5

About [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate

[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate (PubChem CID 158533309) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate
PubChem CID158533309
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate
SMILESC[C@@H]1OCC(=O)[C@@H]1NC(=O)C(CC1CCCCC1)OC(=O)N1CCOCC1
InChIInChI=1S/C19H30N2O6/c1-13-17(15(22)12-26-13)20-18(23)16(11-14-5-3-2-4-6-14)27-19(24)21-7-9-25-10-8-21/h13-14,16-17H,2-12H2,1H3,(H,20,23)/t13-,16?,17+/m0/s1
InChIKeyHNQITGKUBUSZAI-FANOUJGOSA-N
XLogP1.27
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91420232
(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 59414047
[(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
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761
N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
CID 90878407
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 59414130
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
CID 69049862
(2S)-3-cyclohexyl-2-(furan-2-ylmethylsulfanyl)-N-[(2S)-2-methyl-4-oxooxolan-3-yl]propanamide;ethane;methanethiol;methylsulfanylmethane
CID 142154250

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate?
The IUPAC name of [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate (CID 158533309) is [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate is C[C@@H]1OCC(=O)[C@@H]1NC(=O)C(CC1CCCCC1)OC(=O)N1CCOCC1.
What is the InChIKey of [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate?
The InChIKey is HNQITGKUBUSZAI-FANOUJGOSA-N. The full InChI is InChI=1S/C19H30N2O6/c1-13-17(15(22)12-26-13)20-18(23)16(11-14-5-3-2-4-6-14)27-19(24)21-7-9-25-10-8-21/h13-14,16-17H,2-12H2,1H3,(H,20,23)/t13-,16?,17+/m0/s1.
What are the key properties of [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate?
[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 158533309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).