(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

C16H30N4O6 — CID 158458864

IUPAC(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CNCCN1
InChIInChI=1S/C6H11NO2.C5H10N2O2.C5H9NO2/c8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;7-5(8)4-2-1-3-6-4/h5,7H,1-4H2,(H,8,9);4,6-7H,1-3H2,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;2*4-/m000/s1
InChIKeyHEXIWBPHLOTZPB-ZPDHUDNGSA-N
MW374.44 g/mol
LogP-1.33
Rot. Bonds3

About (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 158458864) has the molecular formula C16H30N4O6 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID158458864
Molecular FormulaC16H30N4O6
Molecular Weight374.44 g/mol
Exact Mass374.22
IUPAC Name(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CNCCN1
InChIInChI=1S/C6H11NO2.C5H10N2O2.C5H9NO2/c8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;7-5(8)4-2-1-3-6-4/h5,7H,1-4H2,(H,8,9);4,6-7H,1-3H2,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;2*4-/m000/s1
InChIKeyHEXIWBPHLOTZPB-ZPDHUDNGSA-N
XLogP-1.33
TPSA160.02 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 5-1.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(2R)-piperidine-2-carboxylic acid
CID 10725378
piperazine-2-carboxylic acid
CID 2723758
(2S,5S)-1,4-diazocane-2,5-dicarboxylic acid
CID 71263287
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
calcium;(2S)-pyrrolidine-2-carboxylic acid;dichloride
CID 174944173
azacyclohenicosane-2-carboxylic acid
CID 22341743
pyrrolidine-2-carboxylic acid
CID 614
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
(2R)-azepane-2-carboxylic acid;hydrochloride
CID 135393254

Frequently Asked Questions

What is the IUPAC name of (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 158458864) is (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CNCCN1.
What is the InChIKey of (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is HEXIWBPHLOTZPB-ZPDHUDNGSA-N. The full InChI is InChI=1S/C6H11NO2.C5H10N2O2.C5H9NO2/c8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;7-5(8)4-2-1-3-6-4/h5,7H,1-4H2,(H,8,9);4,6-7H,1-3H2,(H,8,9);4,6H,1-3H2,(H,7,8)/t5-;2*4-/m000/s1.
What are the key properties of (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of -1.33, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-piperazine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158458864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).