(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-azidopropanoic acid

C₁₈H₁₆N₄O₄CAS 684270-46-0352.35 g/mol

Open in Covalent MOL file

Azide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₈H₁₆N₄O₄
Molar mass: 352.35 g/mol
Exact mass: 352.1172 Da
logP: 3.29Crippen estimate
Polar surface area: 124.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
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 40 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

684270-46-0

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CN=[N+]=[N-])C(=O)O

InChIKey

ZITYCUDVCWLHPG-INIZCTEOSA-N

InChI

InChI=1S/C18H16N4O4/c19-22-20-9-16(17(23)24)21-18(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,21,25)(H,23,24)/t16-/m0/s1

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Names and synonyms

1 names

(2S)-3-Azido-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid

Work with (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-azidopropanoic 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

(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid942518-20-983 % similar (2S)-6-Azido-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid159610-89-677 % similar Fmoc-D-ser-oh116861-26-867 % similar Fmoc-L-serine73724-45-567 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-267 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-566 % similar Fmoc-D-abu-oh170642-27-066 % similar Fmoc-dap(fmoc)-oh201473-90-766 % similar

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

Elsewhere

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