2-[4-(2-Oxopyrrolidin-1-yl)phenyl]acetic acid
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Basic information
- CAS
266369-35-1- Standard SMILES
O=C(O)Cc1ccc(N2CCCC2=O)cc1- InChIKey
FAYDWIZOVOAUPK-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 2-[4-(2-Oxopyrrolidin-1-yl)phenyl]acetic acid
- IUPAC
- 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetic acid
- English name
- 4-[(CYCLOPROPYLCARBONYL)AMINO]BENZOIC ACID
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetic Acid2-(4-(2-Oxopyrrolidin-1-yl)phenyl)acetic acidRefChem:456287842-013-1266369-35-1[4-(2-oxopyrrolidin-1-yl)phenyl]acetic acidSCHEMBL5124270DTXSID00427859FAYDWIZOVOAUPK-UHFFFAOYSA-NMFCD07339530AKOS000118361NCGC01445833-01
Show more names
AKOS AUF21164-[(CYCLOPROPYLCARBONYL)AMINO]BENZOIC ACID4-(2-Oxo-1-pyrrolidinyl)benzeneacetic acid4-(2-Oxo-pyrrolidin-1-yl)-benzeneacetic acidBenzeneacetic acid, 4-(2-oxo-1-pyrrolidinyl)-
SY1533434-(2-Oxo-1-pyrrolidinyl)phenylacetic AcidCS-0234584[4-(2-oxo-1-pyrrolidinyl)Phenyl]acetic acidEN300-143902-(4-(2-Oxopyrrolidin-1-yl)phenyl)aceticacidF94358F652635
Database identifiers
- CAS
266369-35-1- PubChem CID
- 7130749
- DTXSID
DTXSID00427859- EC Number
- 842-013-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses4-[(Cyclopropylcarbonyl)amino]benzoic Acid is used to prepare traizole derivatives as inhibitors of cathepsin S.
Related reactions
2 records
Compound notes
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