methyl 4-amino-2-methyloxane-4-carboxylate

C8H15NO3 — CID 11030309

IUPACmethyl 4-amino-2-methyloxane-4-carboxylate
SMILESCOC(=O)C1(N)CCOC(C)C1
InChIInChI=1S/C8H15NO3/c1-6-5-8(9,3-4-12-6)7(10)11-2/h6H,3-5,9H2,1-2H3
InChIKeyTXGHMMKXVSHAAT-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds1

About methyl 4-amino-2-methyloxane-4-carboxylate

methyl 4-amino-2-methyloxane-4-carboxylate (PubChem CID 11030309) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-amino-2-methyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-methyloxane-4-carboxylate
PubChem CID11030309
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-amino-2-methyloxane-4-carboxylate
SMILESCOC(=O)C1(N)CCOC(C)C1
InChIInChI=1S/C8H15NO3/c1-6-5-8(9,3-4-12-6)7(10)11-2/h6H,3-5,9H2,1-2H3
InChIKeyTXGHMMKXVSHAAT-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methyloxane-4-carboxylate?
The IUPAC name of methyl 4-amino-2-methyloxane-4-carboxylate (CID 11030309) is methyl 4-amino-2-methyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-amino-2-methyloxane-4-carboxylate?
The canonical SMILES for methyl 4-amino-2-methyloxane-4-carboxylate is COC(=O)C1(N)CCOC(C)C1.
What is the InChIKey of methyl 4-amino-2-methyloxane-4-carboxylate?
The InChIKey is TXGHMMKXVSHAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-5-8(9,3-4-12-6)7(10)11-2/h6H,3-5,9H2,1-2H3.
What are the key properties of methyl 4-amino-2-methyloxane-4-carboxylate?
methyl 4-amino-2-methyloxane-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methyloxane-4-carboxylate is sourced from PubChem (CID 11030309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).