methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate

C16H18N2O3 — CID 66719771

IUPACmethyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(Oc2ccnc(C)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-9-14(7-8-18-11)21-13-5-3-12(4-6-13)10-15(17)16(19)20-2/h3-9,15H,10,17H2,1-2H3/t15-/m0/s1
InChIKeyORSNUIIUCVLAGC-HNNXBMFYSA-N
MW286.33 g/mol
LogP2.23
Rot. Bonds5

About methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate

methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate (PubChem CID 66719771) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
PubChem CID66719771
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc(Oc2ccnc(C)c2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-9-14(7-8-18-11)21-13-5-3-12(4-6-13)10-15(17)16(19)20-2/h3-9,15H,10,17H2,1-2H3/t15-/m0/s1
InChIKeyORSNUIIUCVLAGC-HNNXBMFYSA-N
XLogP2.23
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-2-amino-3-[4-(2,7-naphthyridin-1-yloxy)phenyl]propanoate
CID 69331356
methyl (2S)-2-amino-3-[4-(4-nitrophenoxy)phenyl]propanoate
CID 70304530
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate (CID 66719771) is methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate is COC(=O)[C@@H](N)Cc1ccc(Oc2ccnc(C)c2)cc1.
What is the InChIKey of methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate?
The InChIKey is ORSNUIIUCVLAGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-9-14(7-8-18-11)21-13-5-3-12(4-6-13)10-15(17)16(19)20-2/h3-9,15H,10,17H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate?
methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.23, 5 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-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate is sourced from PubChem (CID 66719771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).