methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate

C8H17NO5 — CID 86121156

IUPACmethyl 2-(hydroxyamino)-5,5-dimethoxypentanoate
SMILESCOC(=O)C(CCC(OC)OC)NO
InChIInChI=1S/C8H17NO5/c1-12-7(13-2)5-4-6(9-11)8(10)14-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyZUKFHIYYOLPWDS-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.09
Rot. Bonds7

About methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate

methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate (PubChem CID 86121156) has the molecular formula C8H17NO5 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate.

Molecular Properties

Compound Namemethyl 2-(hydroxyamino)-5,5-dimethoxypentanoate
PubChem CID86121156
Molecular FormulaC8H17NO5
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Namemethyl 2-(hydroxyamino)-5,5-dimethoxypentanoate
SMILESCOC(=O)C(CCC(OC)OC)NO
InChIInChI=1S/C8H17NO5/c1-12-7(13-2)5-4-6(9-11)8(10)14-3/h6-7,9,11H,4-5H2,1-3H3
InChIKeyZUKFHIYYOLPWDS-UHFFFAOYSA-N
XLogP-0.09
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate?
The IUPAC name of methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate (CID 86121156) is methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate.
What is the SMILES notation for methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate?
The canonical SMILES for methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate is COC(=O)C(CCC(OC)OC)NO.
What is the InChIKey of methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate?
The InChIKey is ZUKFHIYYOLPWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO5/c1-12-7(13-2)5-4-6(9-11)8(10)14-3/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate?
methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate has a molecular weight of 207.23 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate is sourced from PubChem (CID 86121156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).