2-(benzhydrylideneamino)-4-methylpentanoic acid

C19H21NO2 — CID 87285851

IUPAC2-(benzhydrylideneamino)-4-methylpentanoic acid
SMILESCC(C)CC(N=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO2/c1-14(2)13-17(19(21)22)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,22)
InChIKeyFTDSIECRCCAKQH-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.02
Rot. Bonds6

About 2-(benzhydrylideneamino)-4-methylpentanoic acid

2-(benzhydrylideneamino)-4-methylpentanoic acid (PubChem CID 87285851) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-4-methylpentanoic acid
PubChem CID87285851
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(benzhydrylideneamino)-4-methylpentanoic acid
SMILESCC(C)CC(N=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO2/c1-14(2)13-17(19(21)22)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,22)
InChIKeyFTDSIECRCCAKQH-UHFFFAOYSA-N
XLogP4.02
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(benzhydrylideneamino)-4-methylpentanoic 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)butanedioic acid
CID 87406394
2-[[methanesulfonamido(phenyl)methylidene]amino]-4-methylpentanoic acid
CID 18466860
(2S)-4-methyl-2-(1-pyridin-2-ylethylideneamino)pentanoic acid
CID 102026365
4-methyl-2-phenyldiazenylpentanoic acid
CID 54441041
2-(benzhydrylideneamino)butanoate
CID 23167400
(2S)-2-(benzhydrylideneamino)-3-(4-hydroxyphenyl)propanoic acid
CID 146628240
(2R)-2-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoic acid
CID 102180330
3-(benzhydrylideneamino)-4-phenylbutan-2-one
CID 22967228
2-(benzhydrylideneamino)-5-phenylpent-4-ynoic acid
CID 123281578
2-(benzhydrylideneamino)-4-fluoro-4-methylheptanoic acid
CID 118879517
2-(benzhydrylideneamino)-3-(3,5-dibromophenyl)propanoic acid
CID 175585178
methyl (2S,4S)-2-(benzhydrylideneamino)-4-nitropentanoate
CID 102216090

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylideneamino)-4-methylpentanoic acid?
The IUPAC name of 2-(benzhydrylideneamino)-4-methylpentanoic acid (CID 87285851) is 2-(benzhydrylideneamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(benzhydrylideneamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(benzhydrylideneamino)-4-methylpentanoic acid is CC(C)CC(N=C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzhydrylideneamino)-4-methylpentanoic acid?
The InChIKey is FTDSIECRCCAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)13-17(19(21)22)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(benzhydrylideneamino)-4-methylpentanoic acid?
2-(benzhydrylideneamino)-4-methylpentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-4-methylpentanoic acid is sourced from PubChem (CID 87285851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).