L-Tyrosine N-carboxyanhydride

C₁₀H₉NO₄CAS 3415-08-5207.19 g/mol

Open in Covalent MOL file

Ester Lactone Phenol

Properties

Molecular formula: C₁₀H₉NO₄
Molar mass: 207.19 g/mol
Exact mass: 207.0532 Da
logP: 0.77Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

3415-08-5

SMILES

O=C1OC(O)=N[C@H]1Cc1ccc(O)cc1

InChIKey

HOEAPYNDVBABMC-QMMMGPOBSA-N

InChI

InChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)5-8-9(13)15-10(14)11-8/h1-4,8,12H,5H2,(H,11,14)/t8-/m0/s1

Weigh it out

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

Names and synonyms

7 names

2,5-Oxazolidinedione, 4-[(4-hydroxyphenyl)methyl]-, (4S)-
2,5-Oxazolidinedione, 4-(p-hydroxybenzyl)-, L-
2,5-Oxazolidinedione, 4-[(4-hydroxyphenyl)methyl]-, (S)-
(4S)-4-[(4-Hydroxyphenyl)methyl]-2,5-oxazolidinedione
N-Carboxy-L-tyrosine anhydride
(S)-4-(4-Hydroxybenzyl)oxazolidine-2,5-dione
(4S)-4-[(4-Hydroxyphenyl)methyl]-1,3-oxazolidine-2,5-dione

Work with L-Tyrosine N-carboxyanhydride

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

N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-760 % similar Boc-L-tyrosine3978-80-157 % similar Carbobenzoxy-L-tyrosine1164-16-556 % similar N-Acetyl-L-tyrosine ethyl ester840-97-156 % similar N-Benzoyl-L-tyrosine ethyl ester3483-82-754 % similar N-Acetyl-DL-tyrosine2901-77-151 % similar N-Acetyl-L-tyrosine537-55-351 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid13610-59-8

Elsewhere

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