(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

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

Similar compounds

Fmoc-D-nle-oh112883-41-777 % similar Fmoc-D-ser-oh116861-26-876 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-275 % similar Fmoc-L-aspartic acid119062-05-473 % similar Fmoc-D-allo-ile-oh118904-37-372 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-172 % similar Fmoc-D-asn-OH108321-39-771 % similar Fmoc-L-homophenylalanine132684-59-471 % similar

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

Same formula

Fmoc-gamma-abu-oh116821-47-7 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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