ethane;(2R)-piperidine-2-carboxylic acid

C8H17NO2 — CID 157030734

IUPACethane;(2R)-piperidine-2-carboxylic acid
SMILESCC.O=C(O)[C@H]1CCCCN1
InChIInChI=1S/C6H11NO2.C2H6/c8-6(9)5-3-1-2-4-7-5;1-2/h5,7H,1-4H2,(H,8,9);1-2H3/t5-;/m1./s1
InChIKeyFNLQVGOXVOYMER-NUBCRITNSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds1

About ethane;(2R)-piperidine-2-carboxylic acid

ethane;(2R)-piperidine-2-carboxylic acid (PubChem CID 157030734) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethane;(2R)-piperidine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;(2R)-piperidine-2-carboxylic acid
PubChem CID157030734
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethane;(2R)-piperidine-2-carboxylic acid
SMILESCC.O=C(O)[C@H]1CCCCN1
InChIInChI=1S/C6H11NO2.C2H6/c8-6(9)5-3-1-2-4-7-5;1-2/h5,7H,1-4H2,(H,8,9);1-2H3/t5-;/m1./s1
InChIKeyFNLQVGOXVOYMER-NUBCRITNSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-piperidine-2-carboxylic acid
CID 10725378
azacyclohenicosane-2-carboxylic acid
CID 22341743
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-piperidine-2-carboxylic acid?
The IUPAC name of ethane;(2R)-piperidine-2-carboxylic acid (CID 157030734) is ethane;(2R)-piperidine-2-carboxylic acid.
What is the SMILES notation for ethane;(2R)-piperidine-2-carboxylic acid?
The canonical SMILES for ethane;(2R)-piperidine-2-carboxylic acid is CC.O=C(O)[C@H]1CCCCN1.
What is the InChIKey of ethane;(2R)-piperidine-2-carboxylic acid?
The InChIKey is FNLQVGOXVOYMER-NUBCRITNSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c8-6(9)5-3-1-2-4-7-5;1-2/h5,7H,1-4H2,(H,8,9);1-2H3/t5-;/m1./s1.
What are the key properties of ethane;(2R)-piperidine-2-carboxylic acid?
ethane;(2R)-piperidine-2-carboxylic acid has a molecular weight of 159.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-piperidine-2-carboxylic acid is sourced from PubChem (CID 157030734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).