(2S)-2-(benzylamino)-3-phenylpropanoic acid

C16H17NO2 — CID 11832004

IUPAC(2S)-2-(benzylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyPIVJVCRQCUYKNZ-HNNXBMFYSA-N
MW255.32 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-(benzylamino)-3-phenylpropanoic acid

(2S)-2-(benzylamino)-3-phenylpropanoic acid (PubChem CID 11832004) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3-phenylpropanoic acid
PubChem CID11832004
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-2-(benzylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C16H17NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyPIVJVCRQCUYKNZ-HNNXBMFYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
(2S)-2-(benzylamino)-3-(4-naphthalen-1-ylphenyl)propanoic acid
CID 67590007
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
3-phenyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 20720633
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
CID 82364579
(2S)-2-(but-2-ynylamino)-3-phenylpropanoic acid
CID 101045533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(benzylamino)-3-phenylpropanoic acid (CID 11832004) is (2S)-2-(benzylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(benzylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(benzylamino)-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3-phenylpropanoic acid?
The InChIKey is PIVJVCRQCUYKNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-3-phenylpropanoic acid?
(2S)-2-(benzylamino)-3-phenylpropanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 11832004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).