(S)-N-Boc-3-amino-3-phenylpropanoic acid
Properties
- Molecular formula
- C14H19NO4
- Molar mass
- 265.31 g/mol
- Exact mass
- 265.1314 Da
- logP
- 2.73Crippen estimate
- Polar surface area
- 75.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 4
- Stereocentres
- Sin 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
103365-47-5SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1InChIKey
JTNQFJPZRTURSI-NSHDSACASA-NInChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (S)-N-Boc-3-amino-3-phenylpropanoic 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
3-[(tert-Butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid284493-72-776 % similar
(S)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid479064-90-976 % similar
3-[(tert-Butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid96363-20-174 % similar
3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid284493-53-472 % similar
Boc-L-phenylglycinol117049-14-670 % similar
(S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-668 % similar
(S)-tert-Butyl 3-oxo-1-phenylpropylcarbamate135865-78-064 % similar
Boc-L-beta-Homoaspartic acid254101-10-563 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.