[4-(1-Cyanocyclobutylamino)phenyl]acetic acid
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Basic information
- CAS
915087-08-0- Standard SMILES
N#CC1(Nc2ccc(CC(=O)O)cc2)CCC1- InChIKey
KBGUMJVDSNFUSN-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- [4-(1-Cyanocyclobutylamino)phenyl]acetic acid
- IUPAC
- 2-[4-[(1-cyanocyclobutyl)amino]phenyl]acetic acid
- English name
- 2-(4-(1-CYANOCYCLOBUTYLAMINO) PHENYL)ACETIC ACID
- Molecular formula
- C13H14N2O2
- Molecular weight
- 0
Names & synonyms
SCHEMBL1715165KBGUMJVDSNFUSN-UHFFFAOYSA-N[4-(1-cyanocyclobutylamino)phenyl]acetic acid2-(4-(1-CYANOCYCLOBUTYLAMINO) PHENYL)ACETIC ACID
Database identifiers
- CAS
915087-08-0- PubChem CID
- 67132001
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
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Related reactions
9 records
Compound notes
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