2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid

C₁₈H₁₇NO₄CAS 77128-70-2311.34 g/mol

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Carbamate Carboxylic acid

Properties

Molecular formula: C₁₈H₁₇NO₄
Molar mass: 311.34 g/mol
Exact mass: 311.1158 Da
logP: 2.95Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

77128-70-2

SMILES

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

InChIKey

ZHKQIADIIYMFOZ-UHFFFAOYSA-N

InChI

InChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21)

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Names and synonyms

8 names

N-(9-Fluorenylmethoxycarbonyl)-N-methylglycine
Glycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methylglycine
990: PN: WO2006135786 PAGE: 71 claimed protein
298: PN: US20070042401 PAGE: 38 claimed protein
2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)acetic acid
2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
2-[[(9H-Fluoren-9-ylmethoxy)carbonyl](methyl)amino]acetic acid

Work with 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic 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

Weinreb linker247021-90-562 % similar Fmoc-N-(2,4,6-trimethoxybenzyl)-glycine166881-43-260 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-960 % similar N-Methyl-N-[(phenylmethoxy)carbonyl]glycine39608-31-660 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-758 % similar Fmoc-L-beta-homoproline193693-60-657 % similar Fmoc-N(hmb)-gly-oh148515-78-056 % similar Fmoc-(dmb)gly-oh166881-42-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-3 Fmoc-B-ala-oh35737-10-1 (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid79261-58-8 N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-1

Elsewhere

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