2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

C21H21N3O4 — CID 135322262

IUPAC2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccccc1-c1nccc(COc2ccccc2CC(N)C(=O)O)n1
InChIInChI=1S/C21H21N3O4/c1-27-19-9-5-3-7-16(19)20-23-11-10-15(24-20)13-28-18-8-4-2-6-14(18)12-17(22)21(25)26/h2-11,17H,12-13,22H2,1H3,(H,25,26)
InChIKeyQECDIZHSMFZBSB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.69
Rot. Bonds8

About 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid

2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 135322262) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
PubChem CID135322262
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccccc1-c1nccc(COc2ccccc2CC(N)C(=O)O)n1
InChIInChI=1S/C21H21N3O4/c1-27-19-9-5-3-7-16(19)20-23-11-10-15(24-20)13-28-18-8-4-2-6-14(18)12-17(22)21(25)26/h2-11,17H,12-13,22H2,1H3,(H,25,26)
InChIKeyQECDIZHSMFZBSB-UHFFFAOYSA-N
XLogP2.69
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 154247950
2-amino-3-[2-[[2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135340232
3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanal
CID 175266949
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol
CID 170713846
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2R)-2-[3-(3-chloro-4-hydroxy-2-methylphenyl)-2-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322403
(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
CID 170899573
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
(2R)-2-[5-(3-chloro-2-cyano-4-hydroxyphenyl)-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 118157197
ethyl (2R)-2-[5-(3-chloro-4-hydroxy-2-methylphenyl)-6-(5-chlorothiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoate
CID 175658676
ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
CID 174895462

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid (CID 135322262) is 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid is COc1ccccc1-c1nccc(COc2ccccc2CC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is QECDIZHSMFZBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-19-9-5-3-7-16(19)20-23-11-10-15(24-20)13-28-18-8-4-2-6-14(18)12-17(22)21(25)26/h2-11,17H,12-13,22H2,1H3,(H,25,26).
What are the key properties of 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 379.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 135322262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).