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N-methylproline

AlkaPlorer ID: AK003794

Synonym: 'N-methylproline', 'N-methyl-L-proline', '(-)-N-Methyl-L-proline', '(2S)-1-methylpyrrolidine-2-carboxylic acid', 'N-Methyl-L-proline', 'N-Methyl-proline'

IUPAC Name: (2S)-1-methylpyrrolidine-2-carboxylic acid

Structure

SMILES: CN1CCC[C@H]1C(=O)O

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InChI: InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

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InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N

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Properties Information

Molecule Weight: 129.159

TPSA？: 40.540000000000006

MolLogP？: 0.1651999999999999

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000487 *C.CN1CCC[C@H]1C(=O)O>>C[N+]1(C)CCC[C@H]1C(=O)O MNXR175710
AKRT000493 *C.O=C(O)[C@@H]1CCCN1>>CN1CCC[C@H]1C(=O)O MNXR175711
AKRT010554 CN1CCC[C@H]1C(=O)O>>C=O R502-RXN
AKRT010555 CN1CCC[C@H]1C(=O)O>>O=C(O)[C@@H]1CCCN1 R502-RXN
AKRT014440 C[N+]1(C)CCC[C@H]1C(=O)O>>CN1CCC[C@H]1C(=O)O RXN-21062