3-((2-Aminoethyl)thio)-2-methylpropanoic acid
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Basic information
- CAS
80186-81-8- Standard SMILES
CC(CSCCN)C(=O)O- InChIKey
UFRVABODKAYFCB-UHFFFAOYSA-N- Molecular formula
- C6H13NO2S
- Average molar mass
- 163.24 g/mol
- Monoisotopic mass
- 163.06669983
Overview
S-(2-carboxypropyl)-Cysteamine is an amino acid.
Names & identifiers
- Preferred name
- 3-((2-Aminoethyl)thio)-2-methylpropanoic acid
- IUPAC
- 3-(2-aminoethylsulfanyl)-2-methylpropanoic acid
- English name
- 3-(2-aminoethylsulfanyl)-2-methyl-propanoic acid
- Molecular formula
- C6H13NO2S
- Molecular weight
- 163.24
Names & synonyms
80186-81-8S-(2-Carboxypropyl)cysteamineS-2-Cpct3-((2-Aminoethyl)thio)-2-methylpropanoic acidPropanoic acid, 3-[(2-aminoethyl)thio]-2-methyl-Propanoic acid, 3-((2-aminoethyl)thio)-2-methyl-RefChem:910809S-(2-carboxypropyl)-Cysteamine3-(2-aminoethylsulfanyl)-2-methylpropanoic acid3-(2-AMINOETHYLSULFANYL)-2-METHYL-PROPANOIC ACID3-[(2-aminoethyl)sulfanyl]-2-methylpropanoic acidMFCD14623997
Show more names
S-2-carboxypropyl-cysteamineSCHEMBL22413378DTXSID20868563CHEBI:184285LMFA01020395AKOS0105747113-((2-aminoethyl)thio)-2-methyl-PropanoateNS00125640
Database identifiers
- CAS
80186-81-8- PubChem CID
- 133402
- DTXSID
DTXSID20868563- ChEBI
CHEBI:184285- Nikkaji
- J3.750.572B
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physical DescriptionSolid
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: S-(2-carboxypropyl)-Cysteamine is an amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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