3-hydroxypiperidine-2-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 72996039

IUPAC3-hydroxypiperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCCC1O
InChIInChI=1S/C6H11NO3.ClH/c8-4-2-1-3-7-5(4)6(9)10;/h4-5,7-8H,1-3H2,(H,9,10);1H
InChIKeyABMGIZHBKVDDRD-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.39
Rot. Bonds1

About 3-hydroxypiperidine-2-carboxylic acid;hydrochloride

3-hydroxypiperidine-2-carboxylic acid;hydrochloride (PubChem CID 72996039) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 3-hydroxypiperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxypiperidine-2-carboxylic acid;hydrochloride
PubChem CID72996039
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name3-hydroxypiperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCCC1O
InChIInChI=1S/C6H11NO3.ClH/c8-4-2-1-3-7-5(4)6(9)10;/h4-5,7-8H,1-3H2,(H,9,10);1H
InChIKeyABMGIZHBKVDDRD-UHFFFAOYSA-N
XLogP-0.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
CID 155973336
3-propan-2-ylpiperidine-2-carboxylic acid
CID 130003072
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
3-phosphonopiperidine-2-carboxylic acid
CID 14850766
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
3-piperidin-1-ylpiperidine-2-carboxylic acid
CID 83835245
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(213C)azolidine-2-carboxylic acid
CID 10290769
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypiperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-hydroxypiperidine-2-carboxylic acid;hydrochloride (CID 72996039) is 3-hydroxypiperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-hydroxypiperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-hydroxypiperidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCCCC1O.
What is the InChIKey of 3-hydroxypiperidine-2-carboxylic acid;hydrochloride?
The InChIKey is ABMGIZHBKVDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c8-4-2-1-3-7-5(4)6(9)10;/h4-5,7-8H,1-3H2,(H,9,10);1H.
What are the key properties of 3-hydroxypiperidine-2-carboxylic acid;hydrochloride?
3-hydroxypiperidine-2-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypiperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 72996039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).