[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate

C15H27NO3 — CID 142844211

IUPAC[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
SMILESCC1CC[C@@H](C(C)C)C(OC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyOSMGKYGOMMKPIY-MOKVOYLWSA-N
MW269.38 g/mol
LogP2.92
Rot. Bonds2

About [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate

[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate (PubChem CID 142844211) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
PubChem CID142844211
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
SMILESCC1CC[C@@H](C(C)C)C(OC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12?,13-,14?/m0/s1
InChIKeyOSMGKYGOMMKPIY-MOKVOYLWSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
CID 25196299
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
CID 7420672
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The IUPAC name of [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate (CID 142844211) is [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate.
What is the SMILES notation for [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The canonical SMILES for [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate is CC1CC[C@@H](C(C)C)C(OC(=O)N2CCOCC2)C1.
What is the InChIKey of [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
The InChIKey is OSMGKYGOMMKPIY-MOKVOYLWSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)13-5-4-12(3)10-14(13)19-15(17)16-6-8-18-9-7-16/h11-14H,4-10H2,1-3H3/t12?,13-,14?/m0/s1.
What are the key properties of [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate?
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate is sourced from PubChem (CID 142844211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).