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

C16H29NO3 — CID 7420672

IUPAC[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCOCC1
InChIInChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyMVDIUMFLTJNEIC-RRFJBIMHSA-N
MW283.41 g/mol
LogP2.32
Rot. Bonds4

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

[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate (PubChem CID 7420672) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
PubChem CID7420672
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCOCC1
InChIInChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3/t13-,14+,15+/m0/s1
InChIKeyMVDIUMFLTJNEIC-RRFJBIMHSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 2-(4-methylpiperidin-1-yl)acetate
CID 3221410
(5-methyl-2-propan-2-ylcyclohexyl) 2-piperidin-1-ylacetate
CID 3092154
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 95354015
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
CID 142844211
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-yl-2-oxoacetate
CID 25196299
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
(5-methyl-2-propan-2-ylcyclohexyl) 2-cyanoacetate
CID 2750806
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate;hydrochloride
CID 67305263

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate?
The IUPAC name of [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate (CID 7420672) is [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate.
What is the SMILES notation for [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate?
The canonical SMILES for [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate is CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1CCOCC1.
What is the InChIKey of [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate?
The InChIKey is MVDIUMFLTJNEIC-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)14-5-4-13(3)10-15(14)20-16(18)11-17-6-8-19-9-7-17/h12-15H,4-11H2,1-3H3/t13-,14+,15+/m0/s1.
What are the key properties of [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate?
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate has a molecular weight of 283.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-morpholin-4-ylacetate is sourced from PubChem (CID 7420672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).