(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-pyridinepropanoic acid
Properties
- Molecular formula
- C13H18N2O4
- Molar mass
- 266.30 g/mol
- Exact mass
- 266.1267 Da
- Melting point
- 113–115 °C
- logP
- 1.81Crippen estimate
- Polar surface area
- 92.0 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H317 May cause an allergic skin reaction100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
98266-33-2SMILES
CC(C)(C)OC(O)=N[C@H](Cc1cccnc1)C(=O)OInChIKey
JLBCSWWZSSVXRQ-SNVBAGLBSA-NInChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 3-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
- 3-Pyridinepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
- 3-Pyridinepropanoic acid α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
Work with (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-pyridinepropanoic acid
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.
Similar compounds
Boc-L-phenylalanine13734-34-475 % similar
N-tert-Butoxycarbonyl-D-phenylalanine18942-49-975 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-L-phenylalanyl-L-phenylalanine13122-90-268 % similar
N-((1,1-Dimethylethoxy)carbonyl)-3-fluoro-L-phenylalanine114873-01-767 % similar
Boc-3-chloro-L-phenylalanine114873-03-967 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-3-fluoro-D-phenylalanine114873-11-967 % similar
Boc-L-tyrosine3978-80-167 % similar
Boc-3-bromo-D-phenylalanine261360-77-465 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.