(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate

C5H10NO3S2- — CID 6857709

IUPAC(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate
SMILESN[C@@H](CSSCCO)C(=O)[O-]
InChIInChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyYPUBRSXDQSFQBA-BYPYZUCNSA-M
MW196.27 g/mol
LogP-1.56
Rot. Bonds6

About (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate

(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate (PubChem CID 6857709) has the molecular formula C5H10NO3S2- and a molecular weight of 196.27 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate
PubChem CID6857709
Molecular FormulaC5H10NO3S2-
Molecular Weight196.27 g/mol
Exact Mass196.01
IUPAC Name(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate
SMILESN[C@@H](CSSCCO)C(=O)[O-]
InChIInChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyYPUBRSXDQSFQBA-BYPYZUCNSA-M
XLogP-1.56
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dizinc;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate;(2S)-2-amino-4-methylsulfanylbutanoate;(2R)-2-amino-3-sulfanylpropanoate
CID 173395298
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
sodium 2-amino-3-hydroxypropanoate
CID 23676048
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
CID 141310165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate?
The IUPAC name of (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate (CID 6857709) is (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate.
What is the SMILES notation for (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate?
The canonical SMILES for (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate is N[C@@H](CSSCCO)C(=O)[O-].
What is the InChIKey of (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate?
The InChIKey is YPUBRSXDQSFQBA-BYPYZUCNSA-M. The full InChI is InChI=1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/p-1/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate?
(2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate has a molecular weight of 196.27 g/mol, XLogP of -1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoate is sourced from PubChem (CID 6857709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).