3-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]propanoate
Basic information
- CAS
30806-09-8- Standard SMILES
CC(C)C[C@H]([NH3+])C(=O)NCCC(=O)[O-]- InChIKey
CFXOQFNBROAEHM-ZETCQYMHSA-N- Molecular formula
- C9H18N2O3
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.13174244
Names & identifiers
- Preferred name
- 3-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]propanoate
- IUPAC
- 3-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]propanoate
- English name
- H-Leu-beta-Ala-OH
- Molecular formula
- C9H18N2O3
- Molecular weight
- 202.25
Names & synonyms
H-Leu-β-Ala-OHleu-B-alaH-LEU-BALA-OHH-Leu-beta-Ala-OHL-LEUCYL-B-ALANINEL-Leucyl-!-alanineβ-Alanine, L-leucyl-L-LEUCYL-BETA-ALANINE
Database identifiers
- CAS
30806-09-8- PubChem CID
- 40419035
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- storage temp.
- 20 °C · −20°C
Chemistry & industry
Additional notes
DefinitionChEBI: Leu-beta-Ala is a dipeptide formed from L-leucine and beta-alanine residues.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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