(2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid
Basic information
- CAS
118546-30-8- Standard SMILES
C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O- InChIKey
FSWQIRAILVPQQO-JTQLQIEISA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- (2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acid
- IUPAC
- (2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
Names & synonyms
(2S)-2-[4-(1H-INDOL-3-YL)BUTANAMIDO]PROPANOIC ACID(2S)-2-(4-(1H-indol-3-yl)butanamido)propanoic acidRefChem:398119837-281-1118546-30-8Indole-3-butyryl-l-alanineIndolebutyric acid-alanine conjugate(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid(S)-2-(4-(1H-Indol-3-yl)butanamido)propanoic acidIBA-L-AlaSCHEMBL30712556DTXSID50349335
Show more names
AKOS010365777N-[4-(1H-Indol-3-yl)butanoyl]-L-alanineG24948EN300-7352923L-alanine, N-[4-(1H-indol-3-yl)-1-oxobutyl]-Z756425478L-Alanine, N-[4-(1H-indol-3-yl)-1-oxobutyl]- (9CI)
Database identifiers
- CAS
118546-30-8- PubChem CID
- 644229
- DTXSID
DTXSID50349335- EC Number
- 837-281-1
- Nikkaji
- J2.471.878F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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