2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride

C12H22ClNO2 — CID 135392311

IUPAC2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H21NO2.ClH/c14-11(15)9-10-1-3-12(4-2-10)5-7-13-8-6-12;/h10,13H,1-9H2,(H,14,15);1H
InChIKeyBDAAFCZIZKHVDZ-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.44
Rot. Bonds2

About 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride

2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride (PubChem CID 135392311) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride
PubChem CID135392311
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC Name2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H21NO2.ClH/c14-11(15)9-10-1-3-12(4-2-10)5-7-13-8-6-12;/h10,13H,1-9H2,(H,14,15);1H
InChIKeyBDAAFCZIZKHVDZ-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride (CID 135392311) is 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1CCC2(CCNCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride?
The InChIKey is BDAAFCZIZKHVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.ClH/c14-11(15)9-10-1-3-12(4-2-10)5-7-13-8-6-12;/h10,13H,1-9H2,(H,14,15);1H.
What are the key properties of 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride?
2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-9-yl)acetic acid;hydrochloride is sourced from PubChem (CID 135392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).