(3R)-3-(benzylamino)-3-phenylpropanoic acid

C16H17NO2 — CID 753607

IUPAC(3R)-3-(benzylamino)-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19)11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m1/s1
InChIKeyPKMZWIUZNKICFK-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.99
Rot. Bonds6

About (3R)-3-(benzylamino)-3-phenylpropanoic acid

(3R)-3-(benzylamino)-3-phenylpropanoic acid (PubChem CID 753607) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R)-3-(benzylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(benzylamino)-3-phenylpropanoic acid
PubChem CID753607
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3R)-3-(benzylamino)-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19)11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m1/s1
InChIKeyPKMZWIUZNKICFK-OAHLLOKOSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
(3S)-3-(benzylamino)-3-(4-iodophenyl)propanoic acid
CID 69226862
benzyl (3R)-3-(benzylamino)-3-phenylpropanoate
CID 101135571
3-(2-aminoethylamino)-3-phenylpropanoic acid
CID 145335697
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
butyl 3-(benzylamino)-3-phenylpropanoate
CID 69218913
(3R)-3-[(3-bromophenyl)methylamino]-3-(4-methylphenyl)propanoic acid
CID 97342516
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
CID 141366612
ethyl 3-(benzylamino)-3-(4-iodophenyl)propanoate
CID 23067193
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzylamino)-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-(benzylamino)-3-phenylpropanoic acid (CID 753607) is (3R)-3-(benzylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-(benzylamino)-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-(benzylamino)-3-phenylpropanoic acid is O=C(O)C[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-(benzylamino)-3-phenylpropanoic acid?
The InChIKey is PKMZWIUZNKICFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-3-(benzylamino)-3-phenylpropanoic acid?
(3R)-3-(benzylamino)-3-phenylpropanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 753607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).