bis(butanedioic acid);ethane-1,2-diamine;zinc

C10H20N2O8Zn — CID 173009719

IUPACbis(butanedioic acid);ethane-1,2-diamine;zinc
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Zn]
InChIInChI=1S/2C4H6O4.C2H8N2.Zn/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;
InChIKeyRJMYMWDIPDPQFX-UHFFFAOYSA-N
MW361.67 g/mol
LogP-1.23
Rot. Bonds7

About bis(butanedioic acid);ethane-1,2-diamine;zinc

bis(butanedioic acid);ethane-1,2-diamine;zinc (PubChem CID 173009719) has the molecular formula C10H20N2O8Zn and a molecular weight of 361.67 g/mol. Its IUPAC name is bis(butanedioic acid);ethane-1,2-diamine;zinc.

Molecular Properties

Compound Namebis(butanedioic acid);ethane-1,2-diamine;zinc
PubChem CID173009719
Molecular FormulaC10H20N2O8Zn
Molecular Weight361.67 g/mol
Exact Mass360.05
IUPAC Namebis(butanedioic acid);ethane-1,2-diamine;zinc
SMILESNCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Zn]
InChIInChI=1S/2C4H6O4.C2H8N2.Zn/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;
InChIKeyRJMYMWDIPDPQFX-UHFFFAOYSA-N
XLogP-1.23
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 5-1.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 173009716
CID 173009716
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
butanedioic acid;ethane-1,2-diamine;pentanedioic acid
CID 158203202
bis(ethane-1,2-diamine);hexanedioic acid
CID 88762987
3-(15N)azanyl(113C)propanoic acid
CID 11366951
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
carbonic acid;ethane-1,2-diamine
CID 22445535

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);ethane-1,2-diamine;zinc?
The IUPAC name of bis(butanedioic acid);ethane-1,2-diamine;zinc (CID 173009719) is bis(butanedioic acid);ethane-1,2-diamine;zinc.
What is the SMILES notation for bis(butanedioic acid);ethane-1,2-diamine;zinc?
The canonical SMILES for bis(butanedioic acid);ethane-1,2-diamine;zinc is NCCN.O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[Zn].
What is the InChIKey of bis(butanedioic acid);ethane-1,2-diamine;zinc?
The InChIKey is RJMYMWDIPDPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.C2H8N2.Zn/c2*5-3(6)1-2-4(7)8;3-1-2-4;/h2*1-2H2,(H,5,6)(H,7,8);1-4H2;.
What are the key properties of bis(butanedioic acid);ethane-1,2-diamine;zinc?
bis(butanedioic acid);ethane-1,2-diamine;zinc has a molecular weight of 361.67 g/mol, XLogP of -1.23, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);ethane-1,2-diamine;zinc is sourced from PubChem (CID 173009719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).