benzyl (2S)-2-amino-3-phenylpropanoate

C16H17NO2 — CID 736312

IUPACbenzyl (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKeyFPRSPUHXEPWUBZ-HNNXBMFYSA-N
MW255.32 g/mol
LogP2.30
Rot. Bonds5

About benzyl (2S)-2-amino-3-phenylpropanoate

benzyl (2S)-2-amino-3-phenylpropanoate (PubChem CID 736312) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl (2S)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-3-phenylpropanoate
PubChem CID736312
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl (2S)-2-amino-3-phenylpropanoate
SMILESN[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKeyFPRSPUHXEPWUBZ-HNNXBMFYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-3-phenylpropanoate?
The IUPAC name of benzyl (2S)-2-amino-3-phenylpropanoate (CID 736312) is benzyl (2S)-2-amino-3-phenylpropanoate.
What is the SMILES notation for benzyl (2S)-2-amino-3-phenylpropanoate?
The canonical SMILES for benzyl (2S)-2-amino-3-phenylpropanoate is N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-3-phenylpropanoate?
The InChIKey is FPRSPUHXEPWUBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-amino-3-phenylpropanoate?
benzyl (2S)-2-amino-3-phenylpropanoate has a molecular weight of 255.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 736312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).