Boc-beta-cyclohexyl-D-alanine monohydrate
Properties
- Molecular formula
- C14H25NO4
- Molar mass
- 271.36 g/mol
- Exact mass
- 271.1784 Da
- logP
- 2.93Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
127095-92-5SMILES
CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)OInChIKey
MSZQAQJBXGTSHP-LLVKDONJSA-NInChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Boc-beta-cyclohexyl-D-alanine monohydrate
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-cyclopropylalanine-dcha89483-07-884 % similar
Boc-L-6-hydroxynorleucine77611-37-168 % similar
Boc-D-lys-oh106719-44-267 % similar
(2S)-2,6-Bis((((tert-butoxy)carbonyl)amino))hexanoic acid2483-46-767 % similar
(2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-567 % similar
Boc-D-nva-oh57521-85-467 % similar
Boc-asp(ochx)-oh73821-95-166 % similar
Boc-D-asp(otbu)-oh dcha200334-95-865 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds