2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride

C7H12ClNO2 — CID 121378535

IUPAC2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCC=CN1
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h2,4,6,8H,1,3,5H2,(H,9,10);1H
InChIKeyLGYZZEMFWXVKAS-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.15
Rot. Bonds2

About 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride

2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride (PubChem CID 121378535) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride
PubChem CID121378535
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCC=CN1
InChIInChI=1S/C7H11NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h2,4,6,8H,1,3,5H2,(H,9,10);1H
InChIKeyLGYZZEMFWXVKAS-UHFFFAOYSA-N
XLogP1.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride (CID 121378535) is 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1CCC=CN1.
What is the InChIKey of 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride?
The InChIKey is LGYZZEMFWXVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h2,4,6,8H,1,3,5H2,(H,9,10);1H.
What are the key properties of 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride?
2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride is sourced from PubChem (CID 121378535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).