carbamimidoyl pentanoate;copper

C6H12CuN2O2 — CID 175946944

IUPACcarbamimidoyl pentanoate;copper
SMILES[Cu].[H]/N=C(\N)OC(=O)CCCC
InChIInChI=1S/C6H12N2O2.Cu/c1-2-3-4-5(9)10-6(7)8;/h2-4H2,1H3,(H3,7,8);
InChIKeyVCGBKGGRUXVXSS-UHFFFAOYSA-N
MW207.72 g/mol
LogP0.61
Rot. Bonds3

About carbamimidoyl pentanoate;copper

carbamimidoyl pentanoate;copper (PubChem CID 175946944) has the molecular formula C6H12CuN2O2 and a molecular weight of 207.72 g/mol. Its IUPAC name is carbamimidoyl pentanoate;copper.

Molecular Properties

Compound Namecarbamimidoyl pentanoate;copper
PubChem CID175946944
Molecular FormulaC6H12CuN2O2
Molecular Weight207.72 g/mol
Exact Mass207.02
IUPAC Namecarbamimidoyl pentanoate;copper
SMILES[Cu].[H]/N=C(\N)OC(=O)CCCC
InChIInChI=1S/C6H12N2O2.Cu/c1-2-3-4-5(9)10-6(7)8;/h2-4H2,1H3,(H3,7,8);
InChIKeyVCGBKGGRUXVXSS-UHFFFAOYSA-N
XLogP0.61
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.72
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

dipentanoyl hexanedioate
CID 174373362
(2-amino-2-oxoethyl) pentanoate
CID 142660312
carbamimidoyl 2-acetamidoacetate
CID 141431233
sodium;[2-[carbamimidoyl(methyl)amino]acetyl] dodecanoate;hydride
CID 174417342
ditetradecanoyl hexanedioate
CID 175560209
pentadecanoyl hexadecanoate
CID 87499774
europium(3+);hexanoyl hexanoate;trichloride
CID 174528713
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
[carbamimidoyl(methyl)amino] octadecanoate
CID 141088289
ethane;octadecanoyl octadecanoate
CID 174636018

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl pentanoate;copper?
The IUPAC name of carbamimidoyl pentanoate;copper (CID 175946944) is carbamimidoyl pentanoate;copper.
What is the SMILES notation for carbamimidoyl pentanoate;copper?
The canonical SMILES for carbamimidoyl pentanoate;copper is [Cu].[H]/N=C(\N)OC(=O)CCCC.
What is the InChIKey of carbamimidoyl pentanoate;copper?
The InChIKey is VCGBKGGRUXVXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.Cu/c1-2-3-4-5(9)10-6(7)8;/h2-4H2,1H3,(H3,7,8);.
What are the key properties of carbamimidoyl pentanoate;copper?
carbamimidoyl pentanoate;copper has a molecular weight of 207.72 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl pentanoate;copper is sourced from PubChem (CID 175946944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).