chempirical

Fudosteine

C6H13NO3SCAS 13189-98-5179.23 g/mol

Open in Covalent MOL file
NH2SOHOHO
AlcoholCarboxylic acidPrimary amineSulfide

Properties

Molecular formula
C6H13NO3S
Molar mass
179.23 g/mol
Exact mass
179.0616 Da
logP
-0.49Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
Rin 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
13189-98-5
SMILES
N[C@@H](CSCCCO)C(=O)O
InChIKey
KINWYTAUPKOPCQ-YFKPBYRVSA-N
InChI
InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Cysteine, S-(3-hydroxypropyl)-
  • Alanine, 3-[(3-hydroxypropyl)thio]-, L-
  • Alanine, 3-[(3-hydroxypropyl)thio]-
  • S-(3-Hydroxypropyl)-L-cysteine
  • S-(3-Hydroxypropyl)cysteine
  • (-)-3-[(3-Hydroxypropyl)thio]-L-alanine
  • SS 320A
  • Spelear
  • Cleanal
  • (2R)-2-Amino-3-(3-hydroxypropylsulfanyl)propanoic acid
  • (2R)-2-Amino-3-[(3-hydroxypropyl)sulfanyl]propanoic acid

Work with Fudosteine

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

S-2-Hydroxyethyl-L-cysteine6367-98-281 % similar DL-Lanthionine3183-08-267 % similar Djenkolic acid498-59-963 % similar S-Carboxymethyl-L-cysteine186537-58-660 % similar S-(Carboxymethyl)cysteine2387-59-960 % similar Carbocisteine638-23-360 % similar D-Cystine349-46-256 % similar Cystine56-89-356 % similar

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

Same formula

Cyclamic acid100-88-9 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide26475-62-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook