(3R)-3-(benzhydrylamino)butanoic acid

C17H19NO2 — CID 69229544

IUPAC(3R)-3-(benzhydrylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(12-16(19)20)18-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyXBNIGZPXKFLDMS-CYBMUJFWSA-N
MW269.34 g/mol
LogP3.23
Rot. Bonds6

About (3R)-3-(benzhydrylamino)butanoic acid

(3R)-3-(benzhydrylamino)butanoic acid (PubChem CID 69229544) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R)-3-(benzhydrylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(benzhydrylamino)butanoic acid
PubChem CID69229544
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3R)-3-(benzhydrylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(12-16(19)20)18-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyXBNIGZPXKFLDMS-CYBMUJFWSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
3-(benzhydrylamino)-4-methylpentanoic acid
CID 69228030
2-(benzhydrylamino)propan-1-ol
CID 43499566
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]butanoic acid
CID 55036497
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
3-[[furan-2-yl(phenyl)methyl]amino]butanamide
CID 115573315
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
4-methyl-3-phenylpentanoic acid
CID 3249521
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzhydrylamino)butanoic acid?
The IUPAC name of (3R)-3-(benzhydrylamino)butanoic acid (CID 69229544) is (3R)-3-(benzhydrylamino)butanoic acid.
What is the SMILES notation for (3R)-3-(benzhydrylamino)butanoic acid?
The canonical SMILES for (3R)-3-(benzhydrylamino)butanoic acid is C[C@H](CC(=O)O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-(benzhydrylamino)butanoic acid?
The InChIKey is XBNIGZPXKFLDMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(12-16(19)20)18-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-(benzhydrylamino)butanoic acid?
(3R)-3-(benzhydrylamino)butanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzhydrylamino)butanoic acid is sourced from PubChem (CID 69229544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).