2-(benzhydrylamino)pentanoic acid

C18H21NO2 — CID 65055273

IUPAC2-(benzhydrylamino)pentanoic acid
SMILESCCCC(NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-2-9-16(18(20)21)19-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3,(H,20,21)
InChIKeyOIYMZYSUFCUNHA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.62
Rot. Bonds7

About 2-(benzhydrylamino)pentanoic acid

2-(benzhydrylamino)pentanoic acid (PubChem CID 65055273) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(benzhydrylamino)pentanoic acid.

Molecular Properties

Compound Name2-(benzhydrylamino)pentanoic acid
PubChem CID65055273
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(benzhydrylamino)pentanoic acid
SMILESCCCC(NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C18H21NO2/c1-2-9-16(18(20)21)19-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3,(H,20,21)
InChIKeyOIYMZYSUFCUNHA-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389
2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
CID 82312104
2-(benzhydrylamino)-3-sulfanylpropanoic acid
CID 139416147
ethyl (2S)-2-(benzhydrylamino)butanoate
CID 102386822
(2S)-2-anilinopentanoic acid
CID 22847649
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)pentanoic acid?
The IUPAC name of 2-(benzhydrylamino)pentanoic acid (CID 65055273) is 2-(benzhydrylamino)pentanoic acid.
What is the SMILES notation for 2-(benzhydrylamino)pentanoic acid?
The canonical SMILES for 2-(benzhydrylamino)pentanoic acid is CCCC(NC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzhydrylamino)pentanoic acid?
The InChIKey is OIYMZYSUFCUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-16(18(20)21)19-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17,19H,2,9H2,1H3,(H,20,21).
What are the key properties of 2-(benzhydrylamino)pentanoic acid?
2-(benzhydrylamino)pentanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)pentanoic acid is sourced from PubChem (CID 65055273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).