2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid

C19H19N3O4 — CID 170858615

IUPAC2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H19N3O4/c1-26-16-9-5-2-6-12(16)10-13(19(24)25)11-20-18(23)17-14-7-3-4-8-15(14)21-22-17/h2-9,13H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyRBQWBOIVJXXHQG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.24
Rot. Bonds7

About 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid

2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid (PubChem CID 170858615) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
PubChem CID170858615
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(CNC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C19H19N3O4/c1-26-16-9-5-2-6-12(16)10-13(19(24)25)11-20-18(23)17-14-7-3-4-8-15(14)21-22-17/h2-9,13H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyRBQWBOIVJXXHQG-UHFFFAOYSA-N
XLogP2.24
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-3-(2-methoxyphenyl)propanoic acid
CID 120533106
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
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
2-[(2-methoxyphenyl)methyl]-3-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122108251
2-[(2-methoxyphenyl)methyl]-3-[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 120533076
2-[(2-methoxyphenyl)methyl]-3-[(4-methylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533078
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920

Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid (CID 170858615) is 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(CNC(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is RBQWBOIVJXXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-16-9-5-2-6-12(16)10-13(19(24)25)11-20-18(23)17-14-7-3-4-8-15(14)21-22-17/h2-9,13H,10-11H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid?
2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 353.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-indazole-3-carbonylamino)methyl]-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 170858615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).