methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate

C12H23NO3 — CID 102082046

IUPACmethyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(NO)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)16-3)10(13-15)9-7-5-4-6-8-9/h9-10,13,15H,4-8H2,1-3H3
InChIKeyCSDWTMXOPWBHBM-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate

methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate (PubChem CID 102082046) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate
PubChem CID102082046
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(NO)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)16-3)10(13-15)9-7-5-4-6-8-9/h9-10,13,15H,4-8H2,1-3H3
InChIKeyCSDWTMXOPWBHBM-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate (CID 102082046) is methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)C(NO)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate?
The InChIKey is CSDWTMXOPWBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,11(14)16-3)10(13-15)9-7-5-4-6-8-9/h9-10,13,15H,4-8H2,1-3H3.
What are the key properties of methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate?
methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-(hydroxyamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 102082046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).