azane;3-(dibenzylamino)propanoic acid

C17H22N2O2 — CID 162310692

IUPACazane;3-(dibenzylamino)propanoic acid
SMILESN.O=C(O)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2.H3N/c19-17(20)11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,19,20);1H3
InChIKeyYRFVKQLVDYIDGJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.33
Rot. Bonds7

About azane;3-(dibenzylamino)propanoic acid

azane;3-(dibenzylamino)propanoic acid (PubChem CID 162310692) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is azane;3-(dibenzylamino)propanoic acid.

Molecular Properties

Compound Nameazane;3-(dibenzylamino)propanoic acid
PubChem CID162310692
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameazane;3-(dibenzylamino)propanoic acid
SMILESN.O=C(O)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO2.H3N/c19-17(20)11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,19,20);1H3
InChIKeyYRFVKQLVDYIDGJ-UHFFFAOYSA-N
XLogP3.33
TPSA75.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
3-[benzyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 82330019
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
(E)-18-(dibenzylamino)octadec-12-enoic acid
CID 18512777
4-(dibenzylamino)butanehydrazide
CID 130159101
3-[(4-fluorophenyl)methyl-[(3-phenoxyphenyl)methyl]amino]propanoic acid
CID 23856943
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
3-[(4-bromophenyl)methyl-[[3-[2-(dibenzylamino)ethoxy]phenyl]methyl]amino]propanoic acid
CID 66912882
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
4-[benzyl(2,2-difluoroethyl)amino]butanoic acid
CID 119145583

Frequently Asked Questions

What is the IUPAC name of azane;3-(dibenzylamino)propanoic acid?
The IUPAC name of azane;3-(dibenzylamino)propanoic acid (CID 162310692) is azane;3-(dibenzylamino)propanoic acid.
What is the SMILES notation for azane;3-(dibenzylamino)propanoic acid?
The canonical SMILES for azane;3-(dibenzylamino)propanoic acid is N.O=C(O)CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of azane;3-(dibenzylamino)propanoic acid?
The InChIKey is YRFVKQLVDYIDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.H3N/c19-17(20)11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,19,20);1H3.
What are the key properties of azane;3-(dibenzylamino)propanoic acid?
azane;3-(dibenzylamino)propanoic acid has a molecular weight of 286.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(dibenzylamino)propanoic acid is sourced from PubChem (CID 162310692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).