2-((Benzylcarbamoyl)amino)-3-methylbutanoic acid
Basic information
- CAS
1009681-22-4- Standard SMILES
CC(C)C(NC(=O)NCc1ccccc1)C(=O)O- InChIKey
GXXOANOVALAKPV-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- 2-((Benzylcarbamoyl)amino)-3-methylbutanoic acid
- IUPAC
- 2-(benzylcarbamoylamino)-3-methylbutanoic acid
Names & synonyms
2-[(benzylcarbamoyl)amino]-3-methylbutanoic acid1009681-22-42-((Benzylcarbamoyl)amino)-3-methylbutanoic acidRefChem:449793997-265-62-(benzylcarbamoylamino)-3-methylbutanoic acid2-(benzylcarbamoylamino)-3-methyl-butanoic AcidSCHEMBL6445570AKOS000200955AKOS016900157CS-0243714EN300-26748
Show more names
G330202-[(benzylcarbamoyl)amino]-3-methylbutanoicacidZ223132172
Database identifiers
- CAS
1009681-22-4- PubChem CID
- 4328293
- EC Number
- 997-265-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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