(S)-(2-((2-(Methoxycarbonyl)pyrrolidin-1-yl)methyl)thiophen-3-yl)boronic acid

HCID 11601447

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Basic information

CAS: 878289-34-0
Standard SMILES: COC(=O)[C@@H]1CCCN1Cc1sccc1B(O)O
InChIKey: MUJZTVTWUYWNBH-VIFPVBQESA-N
Molecular formula: C11H16BNO4S
Average molar mass: 269.13 g/mol
Monoisotopic mass: 269.0893093

Names & identifiers

Preferred name: (S)-(2-((2-(Methoxycarbonyl)pyrrolidin-1-yl)methyl)thiophen-3-yl)boronic acid
IUPAC: [2-[[(2S)-2-methoxycarbonylpyrrolidin-1-yl]methyl]thiophen-3-yl]boronic acid

Names & synonyms

878289-34-0DTXSID701191047(S)-(2-((2-(Methoxycarbonyl)pyrrolidin-1-yl)methyl)thiophen-3-yl)boronic acidMethyl 1-[(3-boronothiophen-2-yl)methyl]-L-prolinateL-Proline, 1-[(3-borono-2-thienyl)methyl]-, 2-methyl ester

Database identifiers

CAS: 878289-34-0
PubChem CID: 11601447
DTXSID: DTXSID701191047
Nikkaji: J2.171.497F

Properties

Computed structural properties

Topological polar surface area: 98.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 305

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