3-[(2-Methylpropane-1-sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

HCID 64477151

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Basic information

CAS: 1378431-96-9
Standard SMILES: CC(C)CS(=O)(=O)NC1C2CCC(C2)C1C(=O)O
InChIKey: FVNLJFOCMHMRAZ-UHFFFAOYSA-N
Molecular formula: C12H21NO4S
Average molar mass: 275.37 g/mol
Monoisotopic mass: 275.11912932

Names & identifiers

Preferred name: 3-[(2-Methylpropane-1-sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC: 3-(2-methylpropylsulfonylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

Names & synonyms

DTXSID501139237AKOS0138010603-[(2-Methylpropane-1-sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acidBicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[(2-methylpropyl)sulfonyl]amino]-1378431-96-9

Database identifiers

CAS: 1378431-96-9
PubChem CID: 64477151
DTXSID: DTXSID501139237

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 426

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