methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride

C10H18ClNO2 — CID 146198125

IUPACmethyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C12CC(N)(C1)C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-8(2,7(12)13-3)9-4-10(11,5-9)6-9;/h4-6,11H2,1-3H3;1H
InChIKeyYJFBQPKPZXQFIG-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride

methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride (PubChem CID 146198125) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
PubChem CID146198125
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)C12CC(N)(C1)C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-8(2,7(12)13-3)9-4-10(11,5-9)6-9;/h4-6,11H2,1-3H3;1H
InChIKeyYJFBQPKPZXQFIG-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride (CID 146198125) is methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride is COC(=O)C(C)(C)C12CC(N)(C1)C2.Cl.
What is the InChIKey of methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride?
The InChIKey is YJFBQPKPZXQFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-8(2,7(12)13-3)9-4-10(11,5-9)6-9;/h4-6,11H2,1-3H3;1H.
What are the key properties of methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride?
methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 146198125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).