(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid

C₁₉H₁₉NO₄CAS 135112-27-5325.36 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₉H₁₉NO₄
Molar mass: 325.36 g/mol
Exact mass: 325.1314 Da
logP: 3.39Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
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

135112-27-5

SMILES

CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

XQIRYUNKLVPVRR-KRWDZBQOSA-N

InChI

InChI=1S/C19H19NO4/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Fmoc-abu-oh

Work with (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic 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

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.

Fmoc-D-abu-oh170642-27-0Enantiomer

Similar compounds

Fmoc-L-norvaline135112-28-680 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-680 % similar Fmoc-D-nle-oh112883-41-777 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid77284-32-377 % similar Fmoc-D-ser-oh116861-26-876 % similar Fmoc-L-serine73724-45-576 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-275 % similar Fmoc-dap(fmoc)-oh201473-90-774 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-gamma-abu-oh116821-47-7 (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-1 Fmoc-L-beta-homoalanine193954-26-6 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-7 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-0

Elsewhere

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