Glycyl-4-hydroxyproline
Properties
- Molecular formula
- C7H12N2O4
- Molar mass
- 188.18 g/mol
- Exact mass
- 188.0797 Da
- logP
- -2.01Crippen estimate
- Polar surface area
- 103.9 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 2
- Stereocentres
- R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
24587-32-4SMILES
C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)OInChIKey
ZJQXGJBINIMBOY-UHNVWZDZSA-NInChI
InChI=1S/C7H12N2O4/c8-2-6(11)9-3-4(10)1-5(9)7(12)13/h4-5,10H,1-3,8H2,(H,12,13)/t4-,5+/m1/s1Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 1H), 4.44 (t, J = 7.0 Hz, 1H), 4.38 (quint, J = 7.0 Hz, 1H), 3.77 (d, J = 7.0 Hz, 2H), 3.44 (s, 2H), 2.57 (t, J = 7.0 Hz, 2H), 2.00 (br s, 1H), 1.20 (br s, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 178.0, 171.6, 63.3, 58.5, 52.0, 44.7, 33.3.[M + H]+
[M + H]+ Calcd for C7H13N2O4 189.0870[M + Na]+
[M + Na]+ Calcd for C7H12N2NaO4 211.0689[M − H]−
[M − H]− Calcd for C7H11N2O4 187.0724Elemental analysis
Anal. Calcd for C7H12N2O4: C, 44.68; H, 6.43; N, 14.89.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- H-Gly-hyp-oh
Work with Glycyl-4-hydroxyproline
Similar compounds
Glycylprolylhydroxyproline2239-67-072 % similar
Oxaceprol33996-33-759 % similar
Glycyl-L-proline704-15-459 % similar
N-Boc-cis-4-hydroxy-D-proline135042-12-551 % similar
1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-751 % similar
(2R,4S)-N-alpha-T-Butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-051 % similar
N-Boc-cis-4-hydroxy-L-proline87691-27-851 % similar
1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-349 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.