N-Acetyl-L-proline

C7H11NO3CAS 68-95-1157.17 g/mol

Open in Covalent MOL file
ONOOH
AmideCarboxylic acid

Properties

Molecular formula
C7H11NO3
Molar mass
157.17 g/mol
Exact mass
157.0739 Da
Melting point
106 °C
logP
0.08Crippen estimate
Polar surface area
57.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
68-95-1
SMILES
CC(=O)N1CCC[C@H]1C(=O)O
InChIKey
GNMSLDIYJOSUSW-LURJTMIESA-N
InChI
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • L-Proline, 1-acetyl-
  • Proline, 1-acetyl-, L-
  • 1-Acetyl-L-proline
  • 1-Acetylproline
  • N-Acetylproline
  • L-N-Acetylproline
  • (S)-N-Acetylproline
  • (S)-(-)-N-Acetylproline
  • NSC 280718
  • (S)-1-Acetylpyrrolidine-2-carboxylic acid
  • (2S)-1-Acetylpyrrolidine-2-carboxylic acid
  • (S)-AcetyLproline

Work with N-Acetyl-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.

N-Acetyl-D-proline59785-68-1Enantiomer Ac-dl-pro-oh1074-79-9Stereo not defined

Similar compounds

L-Alanyl-L-proline13485-59-161 % similar N-Acetylprolinamide16395-58-760 % similar 1-(2-Chloroacetyl)-L-proline23500-10-958 % similar Glycyl-L-proline704-15-457 % similar N-Methyl-L-proline475-11-656 % similar Boc-L-proline15761-39-455 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-155 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4

Elsewhere

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