(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride

C7H14ClNO2 — CID 173291135

IUPAC(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
SMILESC[C@@H]1CCC(C(=O)O)NC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-2-3-6(7(9)10)8-4-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6?;/m1./s1
InChIKeyXIOIKXGNNACYRJ-VQALBSKCSA-N
MW179.65 g/mol
LogP0.88
Rot. Bonds1

About (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride

(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride (PubChem CID 173291135) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
PubChem CID173291135
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
SMILESC[C@@H]1CCC(C(=O)O)NC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-2-3-6(7(9)10)8-4-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6?;/m1./s1
InChIKeyXIOIKXGNNACYRJ-VQALBSKCSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 50896271
(2R,5S)-5-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 146013112
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
5-(hydroxymethyl)piperidine-2-carboxylic acid
CID 18320034
(2S,5R)-5-(methoxymethylamino)piperidine-2-carboxylic acid
CID 175042141
5-(diethylamino)piperidine-2-carboxylic acid
CID 83831744
5-(butoxyamino)piperidine-2-carboxylic acid
CID 89304173
2,5-dimethylpiperidine;hydrochloride
CID 55286237
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride (CID 173291135) is (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride is C[C@@H]1CCC(C(=O)O)NC1.Cl.
What is the InChIKey of (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is XIOIKXGNNACYRJ-VQALBSKCSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5-2-3-6(7(9)10)8-4-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H/t5-,6?;/m1./s1.
What are the key properties of (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride?
(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 173291135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).