methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride

C8H16ClNO3 — CID 169430124

IUPACmethyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCOC(C)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6-5-8(9,3-4-12-6)7(10)11-2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyWOKLXMZLRUWBKF-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.48
Rot. Bonds1

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

methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride (PubChem CID 169430124) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride
PubChem CID169430124
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCOC(C)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-6-5-8(9,3-4-12-6)7(10)11-2;/h6H,3-5,9H2,1-2H3;1H
InChIKeyWOKLXMZLRUWBKF-UHFFFAOYSA-N
XLogP0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.48
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;hydrochloride?
The IUPAC name of methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride (CID 169430124) is methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride is COC(=O)C1(N)CCOC(C)C1.Cl.
What is the InChIKey of methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride?
The InChIKey is WOKLXMZLRUWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-6-5-8(9,3-4-12-6)7(10)11-2;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride?
methyl 4-amino-2-methyloxane-4-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.48, 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;hydrochloride is sourced from PubChem (CID 169430124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).