N-[4-methoxybenzenesulfonyl]-alanine methyl ester

HCID 7081982

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIKey: ZSHBIQSHCZPYLV-QMMMGPOBSA-N
Molecular formula: C11H15NO5S
Average molar mass: 273.31 g/mol

Names & identifiers

Preferred name: N-[4-methoxybenzenesulfonyl]-alanine methyl ester
IUPAC: methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

Names & synonyms

SCHEMBL6329696ZSHBIQSHCZPYLV-QMMMGPOBSA-NN-[4-methoxybenzenesulfonyl]-alanine methyl ester

Database identifiers

PubChem CID: 7081982
Nikkaji: J3.031.162K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 90.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 367

Related reactions

8 records

New reaction record

HRID 264292As productuspto-grants-1997_07

HRID 264293As reactantuspto-grants-1997_07

HRID 742030As productuspto-grants-1996_09

HRID 742031As reactantuspto-grants-1996_09

HRID 1720587As productuspto-grants-1996_04

HRID 1720588As reactantuspto-grants-1996_04

HRID 2209678As productuspto-grants-1995_10

HRID 2209679As reactantuspto-grants-1995_10

Compound notes

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