2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

C20H24N2O5 — CID 120533126

IUPAC2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1ncccc1OC(C)C)C(=O)O
InChIInChI=1S/C20H24N2O5/c1-13(2)27-17-9-6-10-21-18(17)19(23)22-12-15(20(24)25)11-14-7-4-5-8-16(14)26-3/h4-10,13,15H,11-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyKOHDYHZUIQWOQE-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.55
Rot. Bonds9

About 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid

2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (PubChem CID 120533126) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
PubChem CID120533126
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1ncccc1OC(C)C)C(=O)O
InChIInChI=1S/C20H24N2O5/c1-13(2)27-17-9-6-10-21-18(17)19(23)22-12-15(20(24)25)11-14-7-4-5-8-16(14)26-3/h4-10,13,15H,11-12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyKOHDYHZUIQWOQE-UHFFFAOYSA-N
XLogP2.55
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120525138
2-[(2-methoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120533076
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533106
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-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533078
2-[(2-methoxyphenyl)methyl]-3-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120533150
2-[(4-methoxypentanoylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533146
2-benzyl-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 119233654
N-(2-aminoethyl)-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 119384241
2-[(cyclooctanecarbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533111
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid (CID 120533126) is 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is COc1ccccc1CC(CNC(=O)c1ncccc1OC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is KOHDYHZUIQWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)27-17-9-6-10-21-18(17)19(23)22-12-15(20(24)25)11-14-7-4-5-8-16(14)26-3/h4-10,13,15H,11-12H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid?
2-[(2-methoxyphenyl)methyl]-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 372.42 g/mol, XLogP of 2.55, 9 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-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120533126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).