2-hydroxybutanedioic acid;piperazine

C12H26N4O5 — CID 173189227

IUPAC2-hydroxybutanedioic acid;piperazine
SMILESC1CNCCN1.C1CNCCN1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/2C4H10N2.C4H6O5/c2*1-2-6-4-3-5-1;5-2(4(8)9)1-3(6)7/h2*5-6H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyDILLXBPAHKSVJA-UHFFFAOYSA-N
MW306.36 g/mol
LogP-2.73
Rot. Bonds3

About 2-hydroxybutanedioic acid;piperazine

2-hydroxybutanedioic acid;piperazine (PubChem CID 173189227) has the molecular formula C12H26N4O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;piperazine.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;piperazine
PubChem CID173189227
Molecular FormulaC12H26N4O5
Molecular Weight306.36 g/mol
Exact Mass306.19
IUPAC Name2-hydroxybutanedioic acid;piperazine
SMILESC1CNCCN1.C1CNCCN1.O=C(O)CC(O)C(=O)O
InChIInChI=1S/2C4H10N2.C4H6O5/c2*1-2-6-4-3-5-1;5-2(4(8)9)1-3(6)7/h2*5-6H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyDILLXBPAHKSVJA-UHFFFAOYSA-N
XLogP-2.73
TPSA142.95 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 5-2.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
2-hydroxybutanedioic acid;1,3-oxazolidine;hydrochloride
CID 175569616
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
1,4-dioxane;2-hydroxybutanedioic acid
CID 129184976
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
sodium;ethane-1,2-diol;2-hydroxybutanedioic acid;hydroxide
CID 173385796
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;piperazine?
The IUPAC name of 2-hydroxybutanedioic acid;piperazine (CID 173189227) is 2-hydroxybutanedioic acid;piperazine.
What is the SMILES notation for 2-hydroxybutanedioic acid;piperazine?
The canonical SMILES for 2-hydroxybutanedioic acid;piperazine is C1CNCCN1.C1CNCCN1.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;piperazine?
The InChIKey is DILLXBPAHKSVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.C4H6O5/c2*1-2-6-4-3-5-1;5-2(4(8)9)1-3(6)7/h2*5-6H,1-4H2;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydroxybutanedioic acid;piperazine?
2-hydroxybutanedioic acid;piperazine has a molecular weight of 306.36 g/mol, XLogP of -2.73, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;piperazine is sourced from PubChem (CID 173189227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).