5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid

C₁₉H₁₉NO₅CAS 260367-12-2341.36 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₉H₁₉NO₅
Molar mass: 341.36 g/mol
Exact mass: 341.1263 Da
logP: 2.63Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

260367-12-2

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCC(=O)O

InChIKey

LBVXPUINIMIGAU-UHFFFAOYSA-N

InChI

InChI=1S/C19H19NO5/c21-18(22)12-24-10-9-20-19(23)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,23)(H,21,22)

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Names and synonyms

1 names

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

Work with 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic 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-NH-PEG4-CH2COOH437655-95-395 % similar Fmoc-nh-8(ethylene glycol)-acetic acid868594-52-995 % similar Fmoc-aeea-aeea560088-89-386 % similar Fmoc-N-amido-peg1-acid1654740-73-481 % similar Fmoc-N-amido-peg24-acid2170484-59-879 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-179 % similar Fmoc-nh-peg12-ch2ch2cooh756526-01-979 % similar Fmoc-12-amino-4,7,10-trioxadodecanoic acid867062-95-179 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-2 Weinreb linker247021-90-5 (S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxypropanoate82911-78-2

Elsewhere

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