Basic information
- CAS
635712-42-4- Standard SMILES
COC(=O)C(N)Cc1cc(C)c2[nH]ncc2c1- InChIKey
IWYBATOKIPKBEJ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
Names & identifiers
- Preferred name
- methyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
- IUPAC
- methyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
Names & synonyms
635712-42-4methyl 2-amino-3-(7-methyl-1H-indazol-5-yl)propanoateZavegepant Impurity 21H-Indazole-5-propanoic acid, alpha-amino-7-methyl-, methyl esterZ97YMP37ECSCHEMBL3591408IWYBATOKIPKBEJ-UHFFFAOYSA-N1h-indazole-5-propanoic acid,a-amino-7-methyl-,methyl esterDB-187751Methyl alpha-amino-7-methyl-1H-indazole-5-propanoateMethyl-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoatemethyl2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate
Show more names
2-amino-3-(7-methyl-1H-indazol-5-yl)-propionic acid methyl ester2-Amino-3-(7-methyl-1H-indazol-5-yl)propionic acid methyl ester(+)-2-amino-3-(7-methyl-1H-indazol-5-yl)-propionic acid methyl ester(+/-)-2-Amino-3-(7-methyl-1H-indazol-5-yl)-propionic Acid Methyl Ester
Database identifiers
- CAS
635712-42-4- PubChem CID
- 58864334
- UNII
- Z97YMP37EC
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
16 records
Compound notes
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