[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate

C14H22N2O6 — CID 146200834

IUPAC[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCOC(=O)N(C)[C@@H]1CCCCC1=O
InChIInChI=1S/C14H22N2O6/c1-10(17)15(2)8-13(19)21-9-22-14(20)16(3)11-6-4-5-7-12(11)18/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyOSGACOAOVPLAKU-LLVKDONJSA-N
MW314.34 g/mol
LogP0.55
Rot. Bonds5

About [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate

[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate (PubChem CID 146200834) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate.

Molecular Properties

Compound Name[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate
PubChem CID146200834
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate
SMILESCC(=O)N(C)CC(=O)OCOC(=O)N(C)[C@@H]1CCCCC1=O
InChIInChI=1S/C14H22N2O6/c1-10(17)15(2)8-13(19)21-9-22-14(20)16(3)11-6-4-5-7-12(11)18/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyOSGACOAOVPLAKU-LLVKDONJSA-N
XLogP0.55
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.55
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-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate?
The IUPAC name of [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate (CID 146200834) is [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate.
What is the SMILES notation for [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate?
The canonical SMILES for [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate is CC(=O)N(C)CC(=O)OCOC(=O)N(C)[C@@H]1CCCCC1=O.
What is the InChIKey of [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate?
The InChIKey is OSGACOAOVPLAKU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-10(17)15(2)8-13(19)21-9-22-14(20)16(3)11-6-4-5-7-12(11)18/h11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate?
[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate has a molecular weight of 314.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate is sourced from PubChem (CID 146200834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).