benzyl (2S)-2-anilinopropanoate

C16H17NO2 — CID 21117728

IUPACbenzyl (2S)-2-anilinopropanoate
SMILESC[C@H](Nc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(17-15-10-6-3-7-11-15)16(18)19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-/m0/s1
InChIKeyRWDFLSLCMUWNPX-ZDUSSCGKSA-N
MW255.32 g/mol
LogP3.23
Rot. Bonds5

About benzyl (2S)-2-anilinopropanoate

benzyl (2S)-2-anilinopropanoate (PubChem CID 21117728) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl (2S)-2-anilinopropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-anilinopropanoate
PubChem CID21117728
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl (2S)-2-anilinopropanoate
SMILESC[C@H](Nc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-13(17-15-10-6-3-7-11-15)16(18)19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-/m0/s1
InChIKeyRWDFLSLCMUWNPX-ZDUSSCGKSA-N
XLogP3.23
TPSA38.33 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-anilinopropanoate?
The IUPAC name of benzyl (2S)-2-anilinopropanoate (CID 21117728) is benzyl (2S)-2-anilinopropanoate.
What is the SMILES notation for benzyl (2S)-2-anilinopropanoate?
The canonical SMILES for benzyl (2S)-2-anilinopropanoate is C[C@H](Nc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-anilinopropanoate?
The InChIKey is RWDFLSLCMUWNPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(17-15-10-6-3-7-11-15)16(18)19-12-14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-anilinopropanoate?
benzyl (2S)-2-anilinopropanoate has a molecular weight of 255.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-anilinopropanoate is sourced from PubChem (CID 21117728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).