methyl 3-(2-hydroxypropylimino)-2-methylpropanoate

C8H15NO3 — CID 156575512

IUPACmethyl 3-(2-hydroxypropylimino)-2-methylpropanoate
SMILESCOC(=O)C(C)/C=N/CC(C)O
InChIInChI=1S/C8H15NO3/c1-6(8(11)12-3)4-9-5-7(2)10/h4,6-7,10H,5H2,1-3H3/b9-4+
InChIKeyZBSDWNJCBHMJBE-RUDMXATFSA-N
MW173.21 g/mol
LogP0.25
Rot. Bonds4

About methyl 3-(2-hydroxypropylimino)-2-methylpropanoate

methyl 3-(2-hydroxypropylimino)-2-methylpropanoate (PubChem CID 156575512) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-(2-hydroxypropylimino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxypropylimino)-2-methylpropanoate
PubChem CID156575512
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-(2-hydroxypropylimino)-2-methylpropanoate
SMILESCOC(=O)C(C)/C=N/CC(C)O
InChIInChI=1S/C8H15NO3/c1-6(8(11)12-3)4-9-5-7(2)10/h4,6-7,10H,5H2,1-3H3/b9-4+
InChIKeyZBSDWNJCBHMJBE-RUDMXATFSA-N
XLogP0.25
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxypropylimino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-hydroxypropylimino)-2-methylpropanoate (CID 156575512) is methyl 3-(2-hydroxypropylimino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-hydroxypropylimino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-hydroxypropylimino)-2-methylpropanoate is COC(=O)C(C)/C=N/CC(C)O.
What is the InChIKey of methyl 3-(2-hydroxypropylimino)-2-methylpropanoate?
The InChIKey is ZBSDWNJCBHMJBE-RUDMXATFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(8(11)12-3)4-9-5-7(2)10/h4,6-7,10H,5H2,1-3H3/b9-4+.
What are the key properties of methyl 3-(2-hydroxypropylimino)-2-methylpropanoate?
methyl 3-(2-hydroxypropylimino)-2-methylpropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxypropylimino)-2-methylpropanoate is sourced from PubChem (CID 156575512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).