[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate

C15H23NO6 — CID 139320625

IUPAC[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate
SMILESCN(C(=O)OCOC(=O)CC1(C)COC1)C1CCCCC1=O
InChIInChI=1S/C15H23NO6/c1-15(8-20-9-15)7-13(18)21-10-22-14(19)16(2)11-5-3-4-6-12(11)17/h11H,3-10H2,1-2H3
InChIKeyHRPKIALWYNTNBY-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.49
Rot. Bonds5

About [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate

[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate (PubChem CID 139320625) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate.

Molecular Properties

Compound Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate
PubChem CID139320625
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate
SMILESCN(C(=O)OCOC(=O)CC1(C)COC1)C1CCCCC1=O
InChIInChI=1S/C15H23NO6/c1-15(8-20-9-15)7-13(18)21-10-22-14(19)16(2)11-5-3-4-6-12(11)17/h11H,3-10H2,1-2H3
InChIKeyHRPKIALWYNTNBY-UHFFFAOYSA-N
XLogP1.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate?
The IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate (CID 139320625) is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate.
What is the SMILES notation for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate?
The canonical SMILES for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate is CN(C(=O)OCOC(=O)CC1(C)COC1)C1CCCCC1=O.
What is the InChIKey of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate?
The InChIKey is HRPKIALWYNTNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-15(8-20-9-15)7-13(18)21-10-22-14(19)16(2)11-5-3-4-6-12(11)17/h11H,3-10H2,1-2H3.
What are the key properties of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate?
[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate has a molecular weight of 313.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate is sourced from PubChem (CID 139320625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).