phenylmethanamine;propanoic acid;zinc

C10H14NO2Zn- — CID 174660355

IUPACphenylmethanamine;propanoic acid;zinc
SMILESCCC(=O)O.NCc1cc[c-]cc1.[Zn]
InChIInChI=1S/C7H8N.C3H6O2.Zn/c8-6-7-4-2-1-3-5-7;1-2-3(4)5;/h2-5H,6,8H2;2H2,1H3,(H,4,5);/q-1;;
InChIKeyPOTQCBKGBHWLSI-UHFFFAOYSA-N
MW245.62 g/mol
LogP1.42
Rot. Bonds2

About phenylmethanamine;propanoic acid;zinc

phenylmethanamine;propanoic acid;zinc (PubChem CID 174660355) has the molecular formula C10H14NO2Zn- and a molecular weight of 245.62 g/mol. Its IUPAC name is phenylmethanamine;propanoic acid;zinc.

Molecular Properties

Compound Namephenylmethanamine;propanoic acid;zinc
PubChem CID174660355
Molecular FormulaC10H14NO2Zn-
Molecular Weight245.62 g/mol
Exact Mass244.03
IUPAC Namephenylmethanamine;propanoic acid;zinc
SMILESCCC(=O)O.NCc1cc[c-]cc1.[Zn]
InChIInChI=1S/C7H8N.C3H6O2.Zn/c8-6-7-4-2-1-3-5-7;1-2-3(4)5;/h2-5H,6,8H2;2H2,1H3,(H,4,5);/q-1;;
InChIKeyPOTQCBKGBHWLSI-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 phenylmethanamine;propanoic acid;zinc?
The IUPAC name of phenylmethanamine;propanoic acid;zinc (CID 174660355) is phenylmethanamine;propanoic acid;zinc.
What is the SMILES notation for phenylmethanamine;propanoic acid;zinc?
The canonical SMILES for phenylmethanamine;propanoic acid;zinc is CCC(=O)O.NCc1cc[c-]cc1.[Zn].
What is the InChIKey of phenylmethanamine;propanoic acid;zinc?
The InChIKey is POTQCBKGBHWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.C3H6O2.Zn/c8-6-7-4-2-1-3-5-7;1-2-3(4)5;/h2-5H,6,8H2;2H2,1H3,(H,4,5);/q-1;;.
What are the key properties of phenylmethanamine;propanoic acid;zinc?
phenylmethanamine;propanoic acid;zinc has a molecular weight of 245.62 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;propanoic acid;zinc is sourced from PubChem (CID 174660355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).