(tert-Butoxycarbonyl)-L-histidine
Properties
- Molecular formula
- C11H17N3O4
- Molar mass
- 255.27 g/mol
- Exact mass
- 255.1219 Da
- Melting point
- 192–196 °C
- logP
- 1.13Crippen estimate
- Polar surface area
- 107.8 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17791-52-5SMILES
CC(C)(C)OC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)OInChIKey
AYMLQYFMYHISQO-QMMMGPOBSA-NInChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-
- Histidine, N-carboxy-, N-tert-butyl ester, L-
- Histidine, N-carboxy-, N-tert-butyl ester
- N-[(1,1-Dimethylethoxy)carbonyl]-L-histidine
- tert-Butyloxycarbonyl-L-histidine
- N-tert-Butyloxycarbonyl-L-histidine
- Nα-tert-Butoxycarbonyl-L-histidine
- N-tert-Butoxycarbonyl-L-histidine
- N-(tert-Butoxycarbonyl)histidine
- (tert-Butoxycarbonyl)histidine
- Nα-(tert-Butyloxycarbonyl)-L-histidine
- NSC 334942
- (+)-Nα-(tert-Butoxycarbonyl)-L-histidine
- (2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-(1H-imidazol-4-yl)propanoic acid
- (2S)-3-(1H-Imidazol-3-ium-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Work with (tert-Butoxycarbonyl)-L-histidine
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
N-Acetyl-L-histidine2497-02-164 % similar
N-[(Phenylmethoxy)carbonyl]-L-histidine14997-58-163 % similar
(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-pyridinepropanoic acid98266-33-262 % similar
Boc-L-phenylalanine13734-34-460 % similar
N-tert-Butoxycarbonyl-D-phenylalanine18942-49-960 % similar
Boc-L-tyrosine3978-80-158 % similar
N-Benzoyl-L-histidine5354-94-957 % similar
N-[(1,1-Dimethylethoxy)carbonyl]-4-methyl-D-phenylalanine80102-27-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.