ethane;2-piperazin-1-ylacetic acid

C8H18N2O2 — CID 143723779

IUPACethane;2-piperazin-1-ylacetic acid
SMILESCC.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.C2H6/c9-6(10)5-8-3-1-7-2-4-8;1-2/h7H,1-5H2,(H,9,10);1-2H3
InChIKeyICAWJHMBHAPONZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.00
Rot. Bonds2

About ethane;2-piperazin-1-ylacetic acid

ethane;2-piperazin-1-ylacetic acid (PubChem CID 143723779) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethane;2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Nameethane;2-piperazin-1-ylacetic acid
PubChem CID143723779
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethane;2-piperazin-1-ylacetic acid
SMILESCC.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.C2H6/c9-6(10)5-8-3-1-7-2-4-8;1-2/h7H,1-5H2,(H,9,10);1-2H3
InChIKeyICAWJHMBHAPONZ-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-[4-(carboxymethyl)-7-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166881958
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
2-[8-(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 170568662
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid
CID 69404702
2-[4-(formyloxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 162694230

Frequently Asked Questions

What is the IUPAC name of ethane;2-piperazin-1-ylacetic acid?
The IUPAC name of ethane;2-piperazin-1-ylacetic acid (CID 143723779) is ethane;2-piperazin-1-ylacetic acid.
What is the SMILES notation for ethane;2-piperazin-1-ylacetic acid?
The canonical SMILES for ethane;2-piperazin-1-ylacetic acid is CC.O=C(O)CN1CCNCC1.
What is the InChIKey of ethane;2-piperazin-1-ylacetic acid?
The InChIKey is ICAWJHMBHAPONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C2H6/c9-6(10)5-8-3-1-7-2-4-8;1-2/h7H,1-5H2,(H,9,10);1-2H3.
What are the key properties of ethane;2-piperazin-1-ylacetic acid?
ethane;2-piperazin-1-ylacetic acid has a molecular weight of 174.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-piperazin-1-ylacetic acid is sourced from PubChem (CID 143723779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).