methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate

C16H17FN2O3 — CID 70820041

IUPACmethyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C16H17FN2O3/c1-21-16(20)15(18)8-12-6-7-13(9-19-12)22-10-11-4-2-3-5-14(11)17/h2-7,9,15H,8,10,18H2,1H3/t15-/m0/s1
InChIKeyODDLRHODGPTPMJ-HNNXBMFYSA-N
MW304.32 g/mol
LogP1.84
Rot. Bonds6

About methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate

methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate (PubChem CID 70820041) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate
PubChem CID70820041
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Namemethyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2F)cn1
InChIInChI=1S/C16H17FN2O3/c1-21-16(20)15(18)8-12-6-7-13(9-19-12)22-10-11-4-2-3-5-14(11)17/h2-7,9,15H,8,10,18H2,1H3/t15-/m0/s1
InChIKeyODDLRHODGPTPMJ-HNNXBMFYSA-N
XLogP1.84
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate (CID 70820041) is methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate is COC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2F)cn1.
What is the InChIKey of methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate?
The InChIKey is ODDLRHODGPTPMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-21-16(20)15(18)8-12-6-7-13(9-19-12)22-10-11-4-2-3-5-14(11)17/h2-7,9,15H,8,10,18H2,1H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate?
methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate has a molecular weight of 304.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]propanoate is sourced from PubChem (CID 70820041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).