Oxaceprol

C7H11NO4CAS 33996-33-7173.17 g/mol

Open in Covalent MOL file
ONOHOHO
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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 51 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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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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

Glycyl-4-hydroxyproline24587-32-459 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-557 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-757 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-057 % similar N-Boc-cis-4-hydroxy-L-proline87691-27-857 % similar Ac-dl-pro-oh1074-79-953 % similar N-Acetyl-D-proline59785-68-153 % similar N-Acetyl-L-proline68-95-153 % 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