methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate

C15H16N2O3 — CID 24730209

IUPACmethyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3
InChIKeyKCDFQZJZENUBND-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate

methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate (PubChem CID 24730209) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
PubChem CID24730209
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3
InChIKeyKCDFQZJZENUBND-UHFFFAOYSA-N
XLogP1.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
CID 66719771
methyl (2S)-2-amino-3-[4-(4-nitrophenoxy)phenyl]propanoate
CID 70304530
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate (CID 24730209) is methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate is COC(=O)C(N)Cc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate?
The InChIKey is KCDFQZJZENUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-15(18)14(16)9-11-4-6-12(7-5-11)20-13-3-2-8-17-10-13/h2-8,10,14H,9,16H2,1H3.
What are the key properties of methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate?
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate is sourced from PubChem (CID 24730209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).