methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate

C14H23NO5 — CID 112535165

IUPACmethyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C14H23NO5/c1-19-13(17)10-2-5-14(18,6-3-10)9-15-12(16)11-4-7-20-8-11/h10-11,18H,2-9H2,1H3,(H,15,16)
InChIKeyFCJDERASXMZBCR-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.23
Rot. Bonds4

About methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate

methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 112535165) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID112535165
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Namemethyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(O)(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C14H23NO5/c1-19-13(17)10-2-5-14(18,6-3-10)9-15-12(16)11-4-7-20-8-11/h10-11,18H,2-9H2,1H3,(H,15,16)
InChIKeyFCJDERASXMZBCR-UHFFFAOYSA-N
XLogP0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]oxolane-3-carboxamide
CID 146074749
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
methyl 4-hydroxy-4-[[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 84580125
methyl 4-(formamidomethyl)-4-hydroxycyclohexane-1-carboxylate
CID 112535163
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114758784
N-[(1-hydroxy-4-methylcyclohexyl)methyl]cyclopropanecarboxamide
CID 65119591

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate (CID 112535165) is methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(O)(CNC(=O)C2CCOC2)CC1.
What is the InChIKey of methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is FCJDERASXMZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-19-13(17)10-2-5-14(18,6-3-10)9-15-12(16)11-4-7-20-8-11/h10-11,18H,2-9H2,1H3,(H,15,16).
What are the key properties of methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate?
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 112535165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).