(R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid

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Basic information

CAS: 6306-53-2
Standard SMILES: CC(C)[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
InChIKey: UUIPGCXIZVZSEC-SNVBAGLBSA-N
Molecular formula: C13H13NO4
Average molar mass: 247.25 g/mol
Monoisotopic mass: 247.0844579

Names & identifiers

Preferred name: (R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acid
IUPAC: (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid

Names & synonyms

6306-53-2(R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoic acidMFCD11518831(2R)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoic acidN,N-PHTHALOYL-D-VALINE(2r)-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-3-methylbutanoic acidN-Phthaloyl-D-valineSCHEMBL1171070(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoic acidUUIPGCXIZVZSEC-SNVBAGLBSA-NDTXSID801152470NSC22911

Show more names

NSC-22911AT22567SY414778(R)-2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanoicacid(2R)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid(|AR)-1,3-Dihydro-|A-(1-methylethyl)-1,3-dioxo-2H-isoindole-2-acetic acid(I+/-R)-1,3-Dihydro-I+/--(1-methylethyl)-1,3-dioxo-2H-isoindole-2-acetic acid

Database identifiers

CAS: 6306-53-2
PubChem CID: 229336
DTXSID: DTXSID801152470
Nikkaji: J1.282.772E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 74.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 366

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