Basic information
- CAS
100762-88-7- Standard SMILES
NC1C=CC(CCC(N)C(=O)O)C=C1- InChIKey
LAJWZJCOWPUSOA-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.12117776
Overview
See also: Amiclenomycin (annotation moved to).
Names & identifiers
- Preferred name
- 2-Amino-4-(4-aminocyclohexa-2,5-dien-1-yl)butanoic acid
- IUPAC
- 2-amino-4-(4-aminocyclohexa-2,5-dien-1-yl)butanoic acid
Names & synonyms
2-amino-4-(4-aminocyclohexa-2,5-dien-1-yl)butanoic acid100762-88-7DTXSID30905731RefChem:1062177DTXCID101334833AmyclenomycinBRN 55251772-Amino-4-(4-amino-2,5-cyclohexadienyl)butyric acidNSC246130BUTYRIC ACID, 2-AMINO-4-(4-AMINO-2,5-CYCLOHEXADIENYL)-SCHEMBL4316155NSC-246130
Show more names
PD042593Q27093674
Database identifiers
- CAS
100762-88-7、53696-70-1- PubChem CID
- 58004
- DTXSID
DTXSID30905731- Nikkaji
- J20.223A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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