2-(benzylideneamino)-3-phenylpropanoic acid

C16H15NO2 — CID 12560761

IUPAC2-(benzylideneamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,18,19)/b17-12+
InChIKeyGGUKWEDEPRDYOR-SFQUDFHCSA-N
MW253.30 g/mol
LogP2.80
Rot. Bonds5

About 2-(benzylideneamino)-3-phenylpropanoic acid

2-(benzylideneamino)-3-phenylpropanoic acid (PubChem CID 12560761) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(benzylideneamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(benzylideneamino)-3-phenylpropanoic acid
PubChem CID12560761
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(benzylideneamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,18,19)/b17-12+
InChIKeyGGUKWEDEPRDYOR-SFQUDFHCSA-N
XLogP2.80
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[4-[[(1S)-1-carboxy-2-phenylethyl]iminomethyl]phenyl]methylideneamino]-3-phenylpropanoic acid
CID 102584454
(2S)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanoic acid
CID 70622231
copper;(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 137349128
3-phenyl-2-(1,3-thiazol-2-ylmethylideneamino)propanoic acid
CID 69143838
2,5-bis(benzylideneamino)hexanoic acid
CID 118619521
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
(2S)-N-(4-ethenylphenyl)-2-[(4-ethenylphenyl)methylideneamino]-3-phenylpropanamide
CID 172682950
2-[(2-hydroxy-5-sulfophenyl)methylideneamino]-3-phenylpropanoic acid
CID 136719290
(2S)-2-isocyanato-3-phenylpropanoic acid
CID 15221985
(2S)-3-phenyl-2-(sulfinylamino)propanoic acid
CID 154380073
(2S)-2-[2-(2,5-dihydroxyphenyl)ethylideneamino]-3-phenylpropanoic acid
CID 25141583
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylideneamino]-3-phenylpropanoic acid
CID 136717278

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(benzylideneamino)-3-phenylpropanoic acid (CID 12560761) is 2-(benzylideneamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(benzylideneamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(benzylideneamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)-3-phenylpropanoic acid?
The InChIKey is GGUKWEDEPRDYOR-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,18,19)/b17-12+.
What are the key properties of 2-(benzylideneamino)-3-phenylpropanoic acid?
2-(benzylideneamino)-3-phenylpropanoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)-3-phenylpropanoic acid is sourced from PubChem (CID 12560761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).