2,5-bis(benzylideneamino)pentanoic acid

C19H20N2O2 — CID 19851101

IUPAC2,5-bis(benzylideneamino)pentanoic acid
SMILESO=C(O)C(CCC/N=C/c1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19(23)18(21-15-17-10-5-2-6-11-17)12-7-13-20-14-16-8-3-1-4-9-16/h1-6,8-11,14-15,18H,7,12-13H2,(H,22,23)/b20-14+,21-15+
InChIKeyOAQBDNCTJFQRDR-OZNQKUEASA-N
MW308.38 g/mol
LogP3.46
Rot. Bonds8

About 2,5-bis(benzylideneamino)pentanoic acid

2,5-bis(benzylideneamino)pentanoic acid (PubChem CID 19851101) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-bis(benzylideneamino)pentanoic acid.

Molecular Properties

Compound Name2,5-bis(benzylideneamino)pentanoic acid
PubChem CID19851101
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2,5-bis(benzylideneamino)pentanoic acid
SMILESO=C(O)C(CCC/N=C/c1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-19(23)18(21-15-17-10-5-2-6-11-17)12-7-13-20-14-16-8-3-1-4-9-16/h1-6,8-11,14-15,18H,7,12-13H2,(H,22,23)/b20-14+,21-15+
InChIKeyOAQBDNCTJFQRDR-OZNQKUEASA-N
XLogP3.46
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(benzylideneamino)pentanoic acid?
The IUPAC name of 2,5-bis(benzylideneamino)pentanoic acid (CID 19851101) is 2,5-bis(benzylideneamino)pentanoic acid.
What is the SMILES notation for 2,5-bis(benzylideneamino)pentanoic acid?
The canonical SMILES for 2,5-bis(benzylideneamino)pentanoic acid is O=C(O)C(CCC/N=C/c1ccccc1)/N=C/c1ccccc1.
What is the InChIKey of 2,5-bis(benzylideneamino)pentanoic acid?
The InChIKey is OAQBDNCTJFQRDR-OZNQKUEASA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(23)18(21-15-17-10-5-2-6-11-17)12-7-13-20-14-16-8-3-1-4-9-16/h1-6,8-11,14-15,18H,7,12-13H2,(H,22,23)/b20-14+,21-15+.
What are the key properties of 2,5-bis(benzylideneamino)pentanoic acid?
2,5-bis(benzylideneamino)pentanoic acid has a molecular weight of 308.38 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(benzylideneamino)pentanoic acid is sourced from PubChem (CID 19851101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).