3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride

C9H16ClNO2 — CID 130695692

IUPAC3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CC2CCCC21
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)4-5-10-6-7-2-1-3-8(7)10;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyUELROGCYYJAAPX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.37
Rot. Bonds3

About 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride

3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride (PubChem CID 130695692) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride
PubChem CID130695692
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CC2CCCC21
InChIInChI=1S/C9H15NO2.ClH/c11-9(12)4-5-10-6-7-2-1-3-8(7)10;/h7-8H,1-6H2,(H,11,12);1H
InChIKeyUELROGCYYJAAPX-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride (CID 130695692) is 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCN1CC2CCCC21.
What is the InChIKey of 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride?
The InChIKey is UELROGCYYJAAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c11-9(12)4-5-10-6-7-2-1-3-8(7)10;/h7-8H,1-6H2,(H,11,12);1H.
What are the key properties of 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride?
3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 130695692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).