2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride

C7H14ClNO2 — CID 118235722

IUPAC2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1CCCCN1
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m0./s1
InChIKeyDJEVRGSQHJHEKA-RGMNGODLSA-N
MW179.65 g/mol
LogP1.02
Rot. Bonds2

About 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride

2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride (PubChem CID 118235722) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride
PubChem CID118235722
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)C[C@@H]1CCCCN1
InChIInChI=1S/C7H13NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m0./s1
InChIKeyDJEVRGSQHJHEKA-RGMNGODLSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-2-yl)acetic acid
CID 3164325
2,6-Piperidinedicarboxylic acid
CID 557515
dl-Pipecolic acid hcl
CID 85923
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
2-(Piperidin-2-yl)acetic acid hydrochloride
CID 12514712
3-(Piperidin-2-yl)propanoic acid hydrochloride
CID 42614381
(S)-2-(Piperidin-2-yl)acetic acid
CID 854351
Methyl 2-(piperidin-2-yl)acetate hydrochloride
CID 13778732
2-(6-Oxopiperidin-2-yl)acetic acid
CID 14507691
2-(1-Methylpiperidin-2-yl)acetic acid hydrochloride
CID 45156844
2,2-Difluoro-2-(piperidin-2-yl)acetic acid hydrochloride
CID 86775561

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride (CID 118235722) is 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride is Cl.O=C(O)C[C@@H]1CCCCN1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride?
The InChIKey is DJEVRGSQHJHEKA-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h6,8H,1-5H2,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride?
2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 118235722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).