2-Acetamido-3-(propan-2-ylamino)propanoic acid
Basic information
- CAS
65374-74-5- Standard SMILES
CC(=O)NC(CNC(C)C)C(=O)O- InChIKey
SYPHYBIWPDJJPH-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609238
Names & identifiers
- Preferred name
- 2-Acetamido-3-(propan-2-ylamino)propanoic acid
- IUPAC
- 2-acetamido-3-(propan-2-ylamino)propanoic acid
Names & synonyms
65374-74-52-acetamido-3-(propan-2-ylamino)propanoic acidNSC296564DTXSID20315724AKOS013907042NSC-296564N-Acetyl-3-[(propan-2-yl)amino]alanine
Database identifiers
- CAS
65374-74-5- PubChem CID
- 326182
- DTXSID
DTXSID20315724
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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