(2S,3R)-2-Amino-3-(benzyloxy)butanoic acid

C₁₁H₁₅NO₃CAS 4378-10-3209.25 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.25 g/mol
Exact mass: 209.1052 Da
logP: 1.00Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4378-10-3

SMILES

C[C@H]([C@@H](C(=O)O)N)OCC1=CC=CC=C1

InChIKey

ONOURAAVVKGJNM-SCZZXKLOSA-N

InChI

InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1

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Names and synonyms

1 names

H-Thr(bzl)-oh

Work with (2S,3R)-2-Amino-3-(benzyloxy)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

(R)-(+)-2-Benzyloxypropionic acid100836-85-963 % similar N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-354 % similar 3-Benzyloxy-cyclobutanecarboxylic acid4958-02-553 % similar 3,3-Diphenyl-D-alanine149597-91-153 % similar Diphenylalanine149597-92-253 % similar O-(Phenylmethyl)-D-serine10433-52-052 % similar O-Benzyl-L-serine4726-96-952 % similar O-(Phenylmethyl)serine5445-44-352 % similar

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

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 L-Tyrosine ethyl ester949-67-7

Elsewhere

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