3-piperazin-1-yloxolane-2-carboxylic acid

C9H16N2O3 — CID 165498121

IUPAC3-piperazin-1-yloxolane-2-carboxylic acid
SMILESO=C(O)C1OCCC1N1CCNCC1
InChIInChI=1S/C9H16N2O3/c12-9(13)8-7(1-6-14-8)11-4-2-10-3-5-11/h7-8,10H,1-6H2,(H,12,13)
InChIKeyXKHSWLKEGFOKOR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.87
Rot. Bonds2

About 3-piperazin-1-yloxolane-2-carboxylic acid

3-piperazin-1-yloxolane-2-carboxylic acid (PubChem CID 165498121) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-piperazin-1-yloxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-piperazin-1-yloxolane-2-carboxylic acid
PubChem CID165498121
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-piperazin-1-yloxolane-2-carboxylic acid
SMILESO=C(O)C1OCCC1N1CCNCC1
InChIInChI=1S/C9H16N2O3/c12-9(13)8-7(1-6-14-8)11-4-2-10-3-5-11/h7-8,10H,1-6H2,(H,12,13)
InChIKeyXKHSWLKEGFOKOR-UHFFFAOYSA-N
XLogP-0.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-ylcyclobutan-1-ol
CID 165486406
3-aminooxolane-2-carboxylic acid
CID 53421314
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
(3-methyloxolan-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755754
1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone
CID 59992004
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
2-tert-butyl-3-piperazin-1-ylpyrrolidine-1-carboxylic acid
CID 142685319
(3R)-3-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 70920669
(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid
CID 124710512
(1S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-1-carboxylic acid
CID 11480691
4-piperazin-1-yloxolan-3-ol
CID 126973224

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yloxolane-2-carboxylic acid?
The IUPAC name of 3-piperazin-1-yloxolane-2-carboxylic acid (CID 165498121) is 3-piperazin-1-yloxolane-2-carboxylic acid.
What is the SMILES notation for 3-piperazin-1-yloxolane-2-carboxylic acid?
The canonical SMILES for 3-piperazin-1-yloxolane-2-carboxylic acid is O=C(O)C1OCCC1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yloxolane-2-carboxylic acid?
The InChIKey is XKHSWLKEGFOKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c12-9(13)8-7(1-6-14-8)11-4-2-10-3-5-11/h7-8,10H,1-6H2,(H,12,13).
What are the key properties of 3-piperazin-1-yloxolane-2-carboxylic acid?
3-piperazin-1-yloxolane-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yloxolane-2-carboxylic acid is sourced from PubChem (CID 165498121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).