chempirical

Oxaceprol

C7H11NO4CAS 33996-33-7173.17 g/mol

Open in Covalent MOL file
ONOHOOH
AlcoholAmideCarboxylic acid

Properties

Molecular formula
C7H11NO4
Molar mass
173.17 g/mol
Exact mass
173.0688 Da
Melting point
132 °C
logP
-0.95Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
33996-33-7
SMILES
CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIKey
BAPRUDZDYCKSOQ-RITPCOANSA-N
InChI
InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1

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

Names and synonyms

14 names · show all
  • L-Proline, 1-acetyl-4-hydroxy-, (4R)-
  • L-Proline, 1-acetyl-4-hydroxy-, trans-
  • Proline, 1-acetyl-4-hydroxy-, L-
  • (4R)-1-Acetyl-4-hydroxy-L-proline
  • N-Acetylhydroxyproline
  • N-Acetyl-4-hydroxy-L-proline
  • N-Acetyl-L-hydroxyproline
  • N-Acetyl-4-hydroxyproline
  • (R)-N-Acetyl-4-hydroxy-L-proline
  • N-Acetyl-trans-4-hydroxy-L-proline
  • AHP 200
  • CO 61
  • Jonctum
  • trans-N-Acetyl-4-hydroxy-L-proline

Work with Oxaceprol

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

1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-757 % similar Ac-dl-pro-oh1074-79-953 % similar N-Acetyl-L-proline68-95-153 % similar N-Acetyl-4-thiazolidinecarboxylic acid5025-82-151 % similar (4R)-3-Acetyl-4-thiazolidinecarboxylic acid54323-50-151 % similar 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-351 % similar Glycylprolylhydroxyproline2239-67-047 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acpd39026-63-6 trans-1-Amino-1,3-cyclopentanedicarboxylic acid39026-64-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook