Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cnc(N)c(C(=O)O)n2)CC1- InChIKey
YYMFKKZGRLSMKQ-UHFFFAOYSA-N- Molecular formula
- C14H21N5O4
- Average molar mass
- 323.35 g/mol
- Monoisotopic mass
- 323.15935417
Names & identifiers
- Preferred name
- 3-Amino-6-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acid
- IUPAC
- 3-amino-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
Names & synonyms
3-amino-6-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylic acidSCHEMBL616228YYMFKKZGRLSMKQ-UHFFFAOYSA-N785051-33-4DB-2941523-amino-6-(4-tert-butoxycarbonylpiperazin-1-yl)pyrazine-2-carboxylic acid5'-amino-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4,6'-dicarboxylic acid 4-tert-butyl ester5'-amino-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4,6'-dicarboxylic acid 4tert-butyl ester
Database identifiers
- PubChem CID
- 66744853
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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