methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate

C14H23NO4 — CID 113259119

IUPACmethyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CCC(C)O2)CC1
InChIInChI=1S/C14H23NO4/c1-9-3-8-12(19-9)13(16)15-11-6-4-10(5-7-11)14(17)18-2/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyZFJBVQBUQYRJQF-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.40
Rot. Bonds3

About methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 113259119) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID113259119
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)C2CCC(C)O2)CC1
InChIInChI=1S/C14H23NO4/c1-9-3-8-12(19-9)13(16)15-11-6-4-10(5-7-11)14(17)18-2/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyZFJBVQBUQYRJQF-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate (CID 113259119) is methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)C2CCC(C)O2)CC1.
What is the InChIKey of methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is ZFJBVQBUQYRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-3-8-12(19-9)13(16)15-11-6-4-10(5-7-11)14(17)18-2/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyloxolane-2-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 113259119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).