N-Methyl-L-proline

C6H11NO2CAS 475-11-6129.16 g/mol

Open in Covalent MOL file
NOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
Melting point
109–112 °C
logP
0.17Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
475-11-6
SMILES
CN1CCC[C@H]1C(=O)O
InChIKey
CWLQUGTUXBXTLF-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • L-Proline, 1-methyl-
  • Proline, 1-methyl-, L-
  • Hygric acid
  • 1-Methyl-L-proline
  • Hygrinic acid
  • (-)-Hygrinic acid
  • (-)-Hygric acid
  • N-Methylproline
  • (2S)-1-Methyl-2-pyrrolidinecarboxylic acid
  • (S)-1-Methylpyrrolidine-2-carboxylic acid
  • (2S)-1-Methylpyrrolidine-2-carboxylic acid

Work with N-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

Similar compounds

N-Methyl-D-pipecolic acid41447-17-089 % similar 1-Methylpiperidine-2-carboxylic acid hydrochloride25271-35-680 % similar Ac-dl-pro-oh1074-79-956 % similar N-Acetyl-D-proline59785-68-156 % similar N-Acetyl-L-proline68-95-156 % similar 1-(2-Chloroacetyl)-L-proline23500-10-950 % similar L-Alanyl-L-proline13485-59-149 % similar Glycyl-L-proline704-15-449 % 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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