Basic information
- CAS
352-83-0- Standard SMILES
CC(CC(=O)O)N=C(N)N- InChIKey
KKGUWQNQEARROH-UHFFFAOYSA-N- Molecular formula
- C5H11N3O2
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.0851266
Overview
creatine antagonist
Names & identifiers
- Preferred name
- beta-Guanidinobutyric acid
- IUPAC
- 3-(diaminomethylideneamino)butanoic acid
- English name
- beta-guanidinobutyric acid
- Molecular weight
- 0
Names & synonyms
352-83-0beta-Guanidinobutyric acidRefChem:1193793-Guanidinobutyric acid3-(diaminomethylideneamino)butanoic acid.beta.-GBAbeta-GBANSC 49063.beta.-Guanidinobutyric acidCHEMBL21110SCHEMBL5170315KKGUWQNQEARROH-UHFFFAOYSA-N
Show more names
3-GUANIDINOBUTYRICACID
NSC49063NSC-49063AKOS006338641Butanoic acid, 3-((aminoiminomethyl)amino)-3-([Amino(imino)methyl]amino)butanoic acid #
Database identifiers
- CAS
352-83-0- PubChem CID
- 97855
- ChEMBL
CHEMBL21110
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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