2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid

C17H19N3O4 — CID 120533078

IUPAC2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1cncnc1C)C(=O)O
InChIInChI=1S/C17H19N3O4/c1-11-14(9-18-10-20-11)16(21)19-8-13(17(22)23)7-12-5-3-4-6-15(12)24-2/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyTWYBOYZLMSPARJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.47
Rot. Bonds7

About 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid

2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 120533078) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID120533078
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1cncnc1C)C(=O)O
InChIInChI=1S/C17H19N3O4/c1-11-14(9-18-10-20-11)16(21)19-8-13(17(22)23)7-12-5-3-4-6-15(12)24-2/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyTWYBOYZLMSPARJ-UHFFFAOYSA-N
XLogP1.47
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methyl]-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120533150
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533106
2-[(2-methoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120533076
2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120533126
2-[(2-methoxyphenyl)methyl]-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120533112
2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 170858615
2-[[(5-acetamido-2-fluorobenzoyl)amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533136
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 74244249
2-[[[1-(2-methoxyethyl)cyclopropanecarbonyl]amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533166
2-[(4-methoxypentanoylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533146
2-[(cyclooctanecarbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533111
2-[(2-methoxyphenyl)methyl]-3-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122108251

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid (CID 120533078) is 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid is COc1ccccc1CC(CNC(=O)c1cncnc1C)C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is TWYBOYZLMSPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-14(9-18-10-20-11)16(21)19-8-13(17(22)23)7-12-5-3-4-6-15(12)24-2/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid?
2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 329.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120533078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).