chempirical

Procysteine

C4H5NO3SCAS 19771-63-2147.15 g/mol

Open in Covalent MOL file
OHOSOHN
Carboxylic acidSulfide

Properties

Molecular formula
C4H5NO3S
Molar mass
147.15 g/mol
Exact mass
146.9990 Da
Melting point
171–173 °C
logP
0.10Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
19771-63-2
SMILES
O=C(O)[C@@H]1CSC(O)=N1
InChIKey
BMLMGCPTLHPWPY-REOHCLBHSA-N
InChI
InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • 4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-
  • 4-Thiazolidinecarboxylic acid, 2-oxo-, L-
  • 4-Thiazolidinecarboxylic acid, 2-oxo-, (R)-
  • (4R)-2-Oxo-4-thiazolidinecarboxylic acid
  • L-2-Oxo-4-thiazolidinecarboxylic acid
  • (R)-2-Oxothiazolidine-4-carboxylic acid
  • (R)-(-)-2-Oxothiazolidine-4-carboxylic acid
  • 2-Oxo-L-thiazolidine-4-carboxylic acid
  • (4R)-2-Oxothiazolidine-4-carboxylic acid
  • (-)-2-Oxo-4-thiazolidinecarboxylic acid
  • R-2-Oxo-1,3-thiazolidine-4-carboxylic acid
  • (4R)-2-Oxo-1,3-thiazolidine-4-carboxylic acid

Work with Procysteine

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,S-Diacetylcysteine18725-37-653 % similar N,N′-Diacetyl-L-cystine5545-17-550 % similar Pyroglutamic acid149-87-142 % similar (+)-Pyroglutamic acid4042-36-842 % similar L-Pyroglutamic acid98-79-342 % similar N-[(1,1-Dimethylethoxy)carbonyl]-S-methyl-L-cysteine16947-80-140 % similar 6-Oxo-2-piperidinecarboxylic acid3770-22-740 % similar 2-(Acetylamino)butanoic acid7211-57-640 % similar

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

Elsewhere

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