3-(benzhydrylamino)-4-methylpentanoic acid

C19H23NO2 — CID 69228030

IUPAC3-(benzhydrylamino)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-14(2)17(13-18(21)22)20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19-20H,13H2,1-2H3,(H,21,22)
InChIKeyDFBZDTNYBJFDHI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.86
Rot. Bonds7

About 3-(benzhydrylamino)-4-methylpentanoic acid

3-(benzhydrylamino)-4-methylpentanoic acid (PubChem CID 69228030) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(benzhydrylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(benzhydrylamino)-4-methylpentanoic acid
PubChem CID69228030
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(benzhydrylamino)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-14(2)17(13-18(21)22)20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19-20H,13H2,1-2H3,(H,21,22)
InChIKeyDFBZDTNYBJFDHI-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(benzhydrylamino)-4-methylpentanoate
CID 23067229
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
4-methyl-3-phenylpentanoic acid
CID 3249521
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
3-[(2-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 3280554
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-methyl-4-oxo-5,5-diphenylpentanoic acid
CID 107292902
3-methyl-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 66667433
2-(benzhydrylamino)propan-1-ol
CID 43499566
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
(3S)-3-[(2-bromophenyl)methylamino]-4-methylpentanoic acid
CID 69229098

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylamino)-4-methylpentanoic acid?
The IUPAC name of 3-(benzhydrylamino)-4-methylpentanoic acid (CID 69228030) is 3-(benzhydrylamino)-4-methylpentanoic acid.
What is the SMILES notation for 3-(benzhydrylamino)-4-methylpentanoic acid?
The canonical SMILES for 3-(benzhydrylamino)-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylamino)-4-methylpentanoic acid?
The InChIKey is DFBZDTNYBJFDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)17(13-18(21)22)20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,19-20H,13H2,1-2H3,(H,21,22).
What are the key properties of 3-(benzhydrylamino)-4-methylpentanoic acid?
3-(benzhydrylamino)-4-methylpentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylamino)-4-methylpentanoic acid is sourced from PubChem (CID 69228030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).