(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid

C5H11NO2S2 — CID 46186615

IUPAC(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
SMILESCCSSC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyYIMFYOCZTDBZJL-SCSAIBSYSA-N
MW181.28 g/mol
LogP0.80
Rot. Bonds5

About (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid

(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid (PubChem CID 46186615) has the molecular formula C5H11NO2S2 and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
PubChem CID46186615
Molecular FormulaC5H11NO2S2
Molecular Weight181.28 g/mol
Exact Mass181.02
IUPAC Name(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
SMILESCCSSC[C@@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyYIMFYOCZTDBZJL-SCSAIBSYSA-N
XLogP0.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
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
2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 11173218
2-amino-3-[(2-amino-3-methylbutyl)disulfanyl]propanoic acid
CID 165172984
2-amino-3-(pentyldisulfanyl)propanoic acid
CID 3298047
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;2-aminopropanoyl 2-aminopropanoate
CID 161333292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid (CID 46186615) is (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid is CCSSC[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid?
The InChIKey is YIMFYOCZTDBZJL-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid?
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid has a molecular weight of 181.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(ethyldisulfanyl)propanoic acid is sourced from PubChem (CID 46186615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).