N-Acetyl-D-proline

C₇H₁₁NO₃CAS 59785-68-1157.17 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: 0.08Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

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

Identifiers

CAS number

59785-68-1

SMILES

CC(=O)N1CCC[C@@H]1C(=O)O

InChIKey

GNMSLDIYJOSUSW-ZCFIWIBFSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Ac-D-pro-oh

Work with N-Acetyl-D-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-L-proline68-95-1Enantiomer 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 (R)-4-cyano-3-hydroxybutyrate141942-85-0 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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