4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride

C8H14ClNO3 — CID 155973544

IUPAC4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
SMILESCOCC12CNC(C(=O)O)(C1)C2.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-12-5-7-2-8(3-7,6(10)11)9-4-7;/h9H,2-5H2,1H3,(H,10,11);1H
InChIKeyCFLNSEWMMBMBTB-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.26
Rot. Bonds3

About 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride

4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride (PubChem CID 155973544) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
PubChem CID155973544
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC Name4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
SMILESCOCC12CNC(C(=O)O)(C1)C2.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-12-5-7-2-8(3-7,6(10)11)9-4-7;/h9H,2-5H2,1H3,(H,10,11);1H
InChIKeyCFLNSEWMMBMBTB-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride (CID 155973544) is 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride is COCC12CNC(C(=O)O)(C1)C2.Cl.
What is the InChIKey of 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride?
The InChIKey is CFLNSEWMMBMBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c1-12-5-7-2-8(3-7,6(10)11)9-4-7;/h9H,2-5H2,1H3,(H,10,11);1H.
What are the key properties of 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride?
4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).