2-Methyl-L-proline

C6H11NO2CAS 42856-71-3129.16 g/mol

Open in Covalent MOL file
OOHNH
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
Melting point
260 °C
logP
0.21Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
42856-71-3
SMILES
C[C@@]1(C(=O)O)CCCN1
InChIKey
LWHHAVWYGIBIEU-LURJTMIESA-N
InChI
InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1

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Names and synonyms

11 names
  • L-Proline, 2-methyl-
  • Proline, 2-methyl-, L-
  • (-)-2-Methyl-L-proline
  • 2-Methylproline
  • (-)-2-Methyl-(S)-proline
  • α-Methyl-L-proline
  • (S)-2-Methylproline
  • (S)-α-Methylproline
  • NSC 14964
  • (S)-2-Methylpyrrolidine-2-carboxylic acid
  • (2S)-2-Methylpyrrolidine-2-carboxylic acid

Reactions

Work with 2-Methyl-L-proline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

H-Alpha-me-D-pro-oh63399-77-9Enantiomer (S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6Salt

Similar compounds

2-Methyl-L-proline methyl ester hydrochloride220060-08-249 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-945 % similar 1-Methylcyclobutanecarboxylic acid32936-76-845 % similar 1-Methylcyclohexanecarboxylic acid1123-25-744 % similar 1-Methylcyclopropanecarboxylic acid6914-76-743 % similar Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-443 % similar 1,1-Cyclobutanedicarboxylic acid5445-51-240 % similar 2,2-Dimethylhexanoic acid813-72-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2

Elsewhere

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