[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate

C16H27NO4 — CID 25196299

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyDQUMXIWYFHUENX-HZSPNIEDSA-N
MW297.40 g/mol
LogP1.85
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate (PubChem CID 25196299) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
PubChem CID25196299
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyDQUMXIWYFHUENX-HZSPNIEDSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
CID 142844211
[(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
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
1-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxy-3-oxobutanedioate
CID 123712529
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
(5-methyl-2-propan-2-ylcyclohexyl) 2-(methylamino)-2-oxoacetate
CID 25196073
(5-methyl-2-propan-2-ylcyclohexyl) 2-fluoroprop-2-enoate
CID 69329469
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-diazopropanoate
CID 135442240
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate (CID 25196299) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=O)N1CCOCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is DQUMXIWYFHUENX-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H27NO4/c1-11(2)13-5-4-12(3)10-14(13)21-16(19)15(18)17-6-8-20-9-7-17/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 297.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 25196299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).