2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid

C₁₉H₁₉NO₄CAS 94744-50-0325.36 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₉H₁₉NO₄
Molar mass: 325.36 g/mol
Exact mass: 325.1314 Da
logP: 3.59Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

94744-50-0

SMILES

CC(C)(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O

InChIKey

HOZZVEPRYYCBTO-UHFFFAOYSA-N

InChI

InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)

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Names and synonyms

7 names

Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methylalanine
N-9-Fluorenylmethoxycarbonyl-α-aminoisobutyric acid
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-2-methylpropanoic acid
2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylpropanoic acid
N-a-Fmoc-a-aminoisobutyric acid, N-Fmoc-C-a-methylalanine

Work with 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fmoc-alpha-methyl-L-leucine312624-65-069 % similar (S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid914399-98-769 % similar 1-((Fmoc)amino)cyclohexanecarboxylic acid162648-54-668 % similar Fmoc-gly-OH29022-11-556 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-356 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-156 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-855 % similar 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-gamma-abu-oh116821-47-7 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-5 (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-1 Fmoc-D-abu-oh170642-27-0 Fmoc-L-beta-homoalanine193954-26-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-7

Elsewhere

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