butylcarbamic acid;zinc

C10H22N2O4Zn — CID 141049802

IUPACbutylcarbamic acid;zinc
SMILESCCCCNC(=O)O.CCCCNC(=O)O.[Zn]
InChIInChI=1S/2C5H11NO2.Zn/c2*1-2-3-4-6-5(7)8;/h2*6H,2-4H2,1H3,(H,7,8);
InChIKeyOGDQNQRUHDNONR-UHFFFAOYSA-N
MW299.69 g/mol
LogP2.11
Rot. Bonds6

About butylcarbamic acid;zinc

butylcarbamic acid;zinc (PubChem CID 141049802) has the molecular formula C10H22N2O4Zn and a molecular weight of 299.69 g/mol. Its IUPAC name is butylcarbamic acid;zinc.

Molecular Properties

Compound Namebutylcarbamic acid;zinc
PubChem CID141049802
Molecular FormulaC10H22N2O4Zn
Molecular Weight299.69 g/mol
Exact Mass298.09
IUPAC Namebutylcarbamic acid;zinc
SMILESCCCCNC(=O)O.CCCCNC(=O)O.[Zn]
InChIInChI=1S/2C5H11NO2.Zn/c2*1-2-3-4-6-5(7)8;/h2*6H,2-4H2,1H3,(H,7,8);
InChIKeyOGDQNQRUHDNONR-UHFFFAOYSA-N
XLogP2.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.69
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butylcarbamic acid;zinc?
The IUPAC name of butylcarbamic acid;zinc (CID 141049802) is butylcarbamic acid;zinc.
What is the SMILES notation for butylcarbamic acid;zinc?
The canonical SMILES for butylcarbamic acid;zinc is CCCCNC(=O)O.CCCCNC(=O)O.[Zn].
What is the InChIKey of butylcarbamic acid;zinc?
The InChIKey is OGDQNQRUHDNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO2.Zn/c2*1-2-3-4-6-5(7)8;/h2*6H,2-4H2,1H3,(H,7,8);.
What are the key properties of butylcarbamic acid;zinc?
butylcarbamic acid;zinc has a molecular weight of 299.69 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylcarbamic acid;zinc is sourced from PubChem (CID 141049802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).