Valine N-carboxyanhydride

C6H9NO3CAS 24601-74-9143.14 g/mol

Open in Covalent MOL file
HNOOO
EsterLactone

Properties

Molecular formula
C6H9NO3
Molar mass
143.14 g/mol
Exact mass
143.0582 Da
logP
0.48Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
24601-74-9
SMILES
CC(C)C1N=C(O)OC1=O
InChIKey
XNCNNYXFGGTEMT-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)

Weigh it out

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

Names and synonyms

8 names
  • 2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
  • 2,5-Oxazolidinedione, 4-isopropyl-, L-
  • 2,5-Oxazolidinedione, 4-(1-methylethyl)-, (S)-
  • (4S)-4-(1-Methylethyl)-2,5-oxazolidinedione
  • L-Valine-N-carboxy anhydride
  • N-Carboxy-L-valine anhydride
  • L-Valine N-carboxyanhydride
  • L-Valine-NCA

Work with Valine 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

Alanine N-carboxyanhydride2224-52-460 % similar N-(Methoxycarbonyl)-L-valine74761-42-551 % similar Boc-Val-osu3392-12-948 % similar Boc-L-valine13734-41-347 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-542 % similar Benzyloxycarbonyl-L-valine1149-26-440 % similar N-(Benzyloxycarbonyl)-DL-valine3588-63-440 % similar N-Acetyl-D-valine17916-88-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxyethyl cyanoacetate10258-54-5 Trimethadione127-48-0 N-[2-Hydroxyethyl]succinimide18190-44-8 N-Methacryloylglycine23578-45-2 (S)-6-Oxo-2-piperidinecarboxylic acid34622-39-4 5-Oxo-pyrrolidine-3-carboxylic acid methyl ester35309-35-4 Methyl 2-acetamidoacrylate35356-70-8 6-Oxopiperidine-2-carboxylic acid3770-22-7

Elsewhere

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