Alanine N-carboxyanhydride

C₄H₅NO₃CAS 2224-52-4115.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅NO₃
Molar mass: 115.09 g/mol
Exact mass: 115.0269 Da
Melting point: 90–92 °C
logP: -0.15Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

2224-52-4

SMILES

CC1N=C(O)OC1=O

InChIKey

DTETYCNJKAUROO-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)

Weigh it out

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

Names and synonyms

12 names

2,5-Oxazolidinedione, 4-methyl-, (4S)-
2,5-Oxazolidinedione, 4-methyl-, L-
2,5-Oxazolidinedione, 4-methyl-, (S)-
(4S)-4-Methyl-2,5-oxazolidinedione
N-Carboxyalanine anhydride
N-Carboxy-L-alanine anhydride
N-Carboxy-L-alanine N-carboxy anhydride
L-4-Methyl-2,5-oxazolidinedione
L-Alanine N-carboxyanhydride
(S)-4-Methyl-2,5-oxazolidinedione
(4S)-4-Methyl-1,3-oxazolidine-2,5-dione
L-Alanine-N-carboxyl anhydride

Work with Alanine 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

Valine N-carboxyanhydride24601-74-960 % similar tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-045 % similar Boc-L-alanine15761-38-344 % similar Boc-D-alanine7764-95-644 % similar (2,5-Dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate3401-36-340 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-L-alanine27317-69-739 % similar L-Tyrosine N-carboxyanhydride3415-08-539 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-037 % similar

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

Same formula

Maleamic acid557-24-4 N-Hydroxysuccinimide6066-82-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook