Basic information
- CAS
42538-55-6- Standard SMILES
NCCC(=O)NCC(=O)NCC(=O)O- InChIKey
KFZPLMGKDOHBHG-UHFFFAOYSA-N- Molecular formula
- C7H13N3O4
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.0906059
Names & identifiers
- Preferred name
- beta-Alanyldiglycine
- IUPAC
- 2-[[2-(3-aminopropanoylamino)acetyl]amino]acetic acid
Names & synonyms
beta-Alanyl-glycyl-glycinebeta-Ala-gly-gly42538-55-6DTXSID00195329Glycine, N-(N-beta-alanylglycyl)-beta-AlanyldiglycineRefChem:917039DTXCID601178202-[[2-(3-aminopropanoylamino)acetyl]amino]acetic acidNSC97931NSC 97931.beta.-Ala-Gly-Gly
Show more names
.beta.-Alanyldiglycinebeta-alanylglycylglycine.beta.-AlanylglycylglycineSCHEMBL2478571KFZPLMGKDOHBHG-UHFFFAOYSA-NNSC-97931AKOS010407661
Database identifiers
- CAS
42538-55-6- PubChem CID
- 97049
- DTXSID
DTXSID00195329- Nikkaji
- J2.012.553E
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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