methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate

C10H19NO3 — CID 83908398

IUPACmethyl 4-amino-3,3,5-trimethyloxane-4-carboxylate
SMILESCOC(=O)C1(N)C(C)COCC1(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-14-6-9(2,3)10(7,11)8(12)13-4/h7H,5-6,11H2,1-4H3
InChIKeyJPNOZUKNXGDBMS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds1

About methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate

methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate (PubChem CID 83908398) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,3,5-trimethyloxane-4-carboxylate
PubChem CID83908398
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-amino-3,3,5-trimethyloxane-4-carboxylate
SMILESCOC(=O)C1(N)C(C)COCC1(C)C
InChIInChI=1S/C10H19NO3/c1-7-5-14-6-9(2,3)10(7,11)8(12)13-4/h7H,5-6,11H2,1-4H3
InChIKeyJPNOZUKNXGDBMS-UHFFFAOYSA-N
XLogP0.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
cis-methyl (1S,3R)-1-amino-2,2,3-trimethylcyclopropane-1-carboxylate
CID 45082211
methyl 4-methyl-1,6-dioxaspiro[2.4]heptane-2-carboxylate
CID 165448019
methane;methyl 3-methyloxetane-3-carboxylate
CID 167597787
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl (3S,4R)-4-amino-3-hydroxyoxane-4-carboxylate
CID 167726084
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
methyl 2,3-dimethyl-4-oxo-7,9-dioxaspiro[4.5]decane-3-carboxylate
CID 141351469
dimethyl 3-ethyl-5-methyloxane-3,4-dicarboxylate
CID 134215133
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate?
The IUPAC name of methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate (CID 83908398) is methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate?
The canonical SMILES for methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate is COC(=O)C1(N)C(C)COCC1(C)C.
What is the InChIKey of methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate?
The InChIKey is JPNOZUKNXGDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-5-14-6-9(2,3)10(7,11)8(12)13-4/h7H,5-6,11H2,1-4H3.
What are the key properties of methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate?
methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,3,5-trimethyloxane-4-carboxylate is sourced from PubChem (CID 83908398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).