2-(benzhydrylideneamino)acetic acid

C30H26N2O4 — CID 118304722

IUPAC2-(benzhydrylideneamino)acetic acid
SMILESO=C(O)CN=C(c1ccccc1)c1ccccc1.O=C(O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H13NO2/c2*17-14(18)11-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2*1-10H,11H2,(H,17,18)
InChIKeyHYNPRDPHTXQIGZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.22
Rot. Bonds8

About 2-(benzhydrylideneamino)acetic acid

2-(benzhydrylideneamino)acetic acid (PubChem CID 118304722) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)acetic acid.

Molecular Properties

Compound Name2-(benzhydrylideneamino)acetic acid
PubChem CID118304722
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name2-(benzhydrylideneamino)acetic acid
SMILESO=C(O)CN=C(c1ccccc1)c1ccccc1.O=C(O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C15H13NO2/c2*17-14(18)11-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2*1-10H,11H2,(H,17,18)
InChIKeyHYNPRDPHTXQIGZ-UHFFFAOYSA-N
XLogP5.22
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(benzhydrylideneamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
[2-[[2-(benzhydrylideneamino)acetyl]oxymethyl]phenyl]methyl 2-(benzhydrylideneamino)acetate
CID 10984738
2-phenylethyl 2-(benzhydrylideneamino)acetate
CID 46702006
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
CID 15899479
3-(benzhydrylideneamino)propanal
CID 11447740
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
4,4-dimethylpentan-2-yl 2-(benzhydrylideneamino)acetate
CID 123558940
2-aminopropanoic acid;3-(benzhydrylideneamino)butan-2-one;1-(benzhydrylideneamino)propan-2-one;2-hydroxyacetic acid
CID 157095783
2-(benzhydrylideneamino)butanedioic acid
CID 87406394
2-(3-phenacyliminobutan-2-ylideneamino)-1-phenylethanone
CID 58611626
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)acetic acid?
The IUPAC name of 2-(benzhydrylideneamino)acetic acid (CID 118304722) is 2-(benzhydrylideneamino)acetic acid.
What is the SMILES notation for 2-(benzhydrylideneamino)acetic acid?
The canonical SMILES for 2-(benzhydrylideneamino)acetic acid is O=C(O)CN=C(c1ccccc1)c1ccccc1.O=C(O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylideneamino)acetic acid?
The InChIKey is HYNPRDPHTXQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13NO2/c2*17-14(18)11-16-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h2*1-10H,11H2,(H,17,18).
What are the key properties of 2-(benzhydrylideneamino)acetic acid?
2-(benzhydrylideneamino)acetic acid has a molecular weight of 478.55 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)acetic acid is sourced from PubChem (CID 118304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).