benzyl (3R)-3-(benzylamino)-3-phenylpropanoate

C23H23NO2 — CID 101135571

IUPACbenzyl (3R)-3-(benzylamino)-3-phenylpropanoate
SMILESO=C(C[C@@H](NCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2/t22-/m1/s1
InChIKeyDBFJZLDMCZEVIY-JOCHJYFZSA-N
MW345.44 g/mol
LogP4.65
Rot. Bonds8

About benzyl (3R)-3-(benzylamino)-3-phenylpropanoate

benzyl (3R)-3-(benzylamino)-3-phenylpropanoate (PubChem CID 101135571) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is benzyl (3R)-3-(benzylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-(benzylamino)-3-phenylpropanoate
PubChem CID101135571
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Namebenzyl (3R)-3-(benzylamino)-3-phenylpropanoate
SMILESO=C(C[C@@H](NCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2/t22-/m1/s1
InChIKeyDBFJZLDMCZEVIY-JOCHJYFZSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate
CID 87297128
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
butyl 3-(benzylamino)-3-phenylpropanoate
CID 69218913
ethyl 3-(benzylamino)-3-(4-iodophenyl)propanoate
CID 23067193
benzyl (3S)-3-(benzylamino)-4-methylpentanoate
CID 101135569
(3S)-3-(benzylamino)-3-(4-iodophenyl)propanoic acid
CID 69226862
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
benzyl (3S)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 7198296
benzyl 3-phenyl-3-[[(2S)-piperazin-2-yl]methylamino]propanoate
CID 155097830
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(benzylamino)-3-phenylpropanoate?
The IUPAC name of benzyl (3R)-3-(benzylamino)-3-phenylpropanoate (CID 101135571) is benzyl (3R)-3-(benzylamino)-3-phenylpropanoate.
What is the SMILES notation for benzyl (3R)-3-(benzylamino)-3-phenylpropanoate?
The canonical SMILES for benzyl (3R)-3-(benzylamino)-3-phenylpropanoate is O=C(C[C@@H](NCc1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-(benzylamino)-3-phenylpropanoate?
The InChIKey is DBFJZLDMCZEVIY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26-18-20-12-6-2-7-13-20)16-22(21-14-8-3-9-15-21)24-17-19-10-4-1-5-11-19/h1-15,22,24H,16-18H2/t22-/m1/s1.
What are the key properties of benzyl (3R)-3-(benzylamino)-3-phenylpropanoate?
benzyl (3R)-3-(benzylamino)-3-phenylpropanoate has a molecular weight of 345.44 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(benzylamino)-3-phenylpropanoate is sourced from PubChem (CID 101135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).