2-piperazin-1-ylbutanedioic acid;dihydrochloride

C8H16Cl2N2O4 — CID 68966423

IUPAC2-piperazin-1-ylbutanedioic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CC(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H14N2O4.2ClH/c11-7(12)5-6(8(13)14)10-3-1-9-2-4-10;;/h6,9H,1-5H2,(H,11,12)(H,13,14);2*1H
InChIKeyZPEOYMZARYRRBQ-UHFFFAOYSA-N
MW275.13 g/mol
LogP-0.34
Rot. Bonds4

About 2-piperazin-1-ylbutanedioic acid;dihydrochloride

2-piperazin-1-ylbutanedioic acid;dihydrochloride (PubChem CID 68966423) has the molecular formula C8H16Cl2N2O4 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-piperazin-1-ylbutanedioic acid;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylbutanedioic acid;dihydrochloride
PubChem CID68966423
Molecular FormulaC8H16Cl2N2O4
Molecular Weight275.13 g/mol
Exact Mass274.05
IUPAC Name2-piperazin-1-ylbutanedioic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CC(C(=O)O)N1CCNCC1
InChIInChI=1S/C8H14N2O4.2ClH/c11-7(12)5-6(8(13)14)10-3-1-9-2-4-10;;/h6,9H,1-5H2,(H,11,12)(H,13,14);2*1H
InChIKeyZPEOYMZARYRRBQ-UHFFFAOYSA-N
XLogP-0.34
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[4,7-bis(1-amino-3-carboxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxobutanoic acid
CID 90006182
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-[7-(1-carboxy-3-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-hydroxybutanoic acid;gadolinium
CID 175945589
piperazine;2-piperazin-1-ylhexanedioic acid
CID 157149096
4-oxo-4-phenyl-2-piperazin-1-ylbutanoic acid
CID 71676843
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
2-(1,4,7,10-tetrazacyclododec-1-yl)hex-5-enoic acid
CID 174209258
4-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 141113240
2-(2-oxoimidazolidin-1-yl)butanedioic acid
CID 67787496
3-piperazin-1-ylpentan-2-one
CID 68969032
2-ethoxy-2-piperazin-1-ylacetic acid;dihydrochloride
CID 174325240

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylbutanedioic acid;dihydrochloride?
The IUPAC name of 2-piperazin-1-ylbutanedioic acid;dihydrochloride (CID 68966423) is 2-piperazin-1-ylbutanedioic acid;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-ylbutanedioic acid;dihydrochloride?
The canonical SMILES for 2-piperazin-1-ylbutanedioic acid;dihydrochloride is Cl.Cl.O=C(O)CC(C(=O)O)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylbutanedioic acid;dihydrochloride?
The InChIKey is ZPEOYMZARYRRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.2ClH/c11-7(12)5-6(8(13)14)10-3-1-9-2-4-10;;/h6,9H,1-5H2,(H,11,12)(H,13,14);2*1H.
What are the key properties of 2-piperazin-1-ylbutanedioic acid;dihydrochloride?
2-piperazin-1-ylbutanedioic acid;dihydrochloride has a molecular weight of 275.13 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbutanedioic acid;dihydrochloride is sourced from PubChem (CID 68966423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).