[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate

C15H26N2O5 — CID 139320706

IUPAC[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate
SMILESCNC(C(=O)OCOC(=O)N(C)C1CCCCC1=O)C(C)C
InChIInChI=1S/C15H26N2O5/c1-10(2)13(16-3)14(19)21-9-22-15(20)17(4)11-7-5-6-8-12(11)18/h10-11,13,16H,5-9H2,1-4H3
InChIKeyVVYKWFWWCGLCAG-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.31
Rot. Bonds6

About [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate

[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate (PubChem CID 139320706) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate.

Molecular Properties

Compound Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate
PubChem CID139320706
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate
SMILESCNC(C(=O)OCOC(=O)N(C)C1CCCCC1=O)C(C)C
InChIInChI=1S/C15H26N2O5/c1-10(2)13(16-3)14(19)21-9-22-15(20)17(4)11-7-5-6-8-12(11)18/h10-11,13,16H,5-9H2,1-4H3
InChIKeyVVYKWFWWCGLCAG-UHFFFAOYSA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(2-methylpropanoylamino)propanoate
CID 139320769
[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxymethyl 2-[acetyl(methyl)amino]acetate
CID 146200834
[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-(3-methyloxetan-3-yl)acetate
CID 139320625
[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 2-aminopyridine-3-carboxylate
CID 154990177
1-[methyl-(2-oxocyclohexyl)carbamoyl]oxyethyl 4-acetamidobutanoate
CID 139320626
1-[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxyethyl oxane-4-carboxylate
CID 155003212
1-[methyl-[(1R)-2-oxocyclohexyl]carbamoyl]oxyethyl 2-(3-methyloxetan-3-yl)acetate
CID 155003210
2-[ethyl-(2-oxocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62036694
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
1-[methyl-(2-oxocyclohexyl)carbamoyl]oxyethyl 2-[(3-methyloxetan-3-yl)methylsulfanyl]acetate
CID 139320768
methyl 2-(2-oxocycloheptyl)propanoate
CID 70625293
N-methyl-N-(2-oxocyclohexyl)benzamide
CID 10977310

Frequently Asked Questions

What is the IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate?
The IUPAC name of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate (CID 139320706) is [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate.
What is the SMILES notation for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate?
The canonical SMILES for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate is CNC(C(=O)OCOC(=O)N(C)C1CCCCC1=O)C(C)C.
What is the InChIKey of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate?
The InChIKey is VVYKWFWWCGLCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-10(2)13(16-3)14(19)21-9-22-15(20)17(4)11-7-5-6-8-12(11)18/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate?
[methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate has a molecular weight of 314.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(2-oxocyclohexyl)carbamoyl]oxymethyl 3-methyl-2-(methylamino)butanoate is sourced from PubChem (CID 139320706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).