methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride

C10H18ClNO3 — CID 146082499

IUPACmethyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CCOCC2)C1.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-13-8(12)10(11)6-9(7-10)2-4-14-5-3-9;/h2-7,11H2,1H3;1H
InChIKeyXEYFVXUBEMIDRQ-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.87
Rot. Bonds1

About methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride

methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride (PubChem CID 146082499) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride
PubChem CID146082499
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC2(CCOCC2)C1.Cl
InChIInChI=1S/C10H17NO3.ClH/c1-13-8(12)10(11)6-9(7-10)2-4-14-5-3-9;/h2-7,11H2,1H3;1H
InChIKeyXEYFVXUBEMIDRQ-UHFFFAOYSA-N
XLogP0.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride (CID 146082499) is methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride is COC(=O)C1(N)CC2(CCOCC2)C1.Cl.
What is the InChIKey of methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride?
The InChIKey is XEYFVXUBEMIDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c1-13-8(12)10(11)6-9(7-10)2-4-14-5-3-9;/h2-7,11H2,1H3;1H.
What are the key properties of methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride?
methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate;hydrochloride is sourced from PubChem (CID 146082499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).