(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid

C6H11NO2S2 — CID 15003857

IUPAC(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid
SMILESC/C=C/SSC[C@@H](N)C(=O)O
InChIInChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1
InChIKeyUONBGLRRZCOLDM-WVSAJJKCSA-N
MW193.29 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid

(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid (PubChem CID 15003857) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid
PubChem CID15003857
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC Name(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid
SMILESC/C=C/SSC[C@@H](N)C(=O)O
InChIInChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1
InChIKeyUONBGLRRZCOLDM-WVSAJJKCSA-N
XLogP1.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.31
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
(2R)-2-amino-3-(trisulfanyl)propanoic acid
CID 137350062
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
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
2-amino-3-[(2-amino-3-methylbutyl)disulfanyl]propanoic acid
CID 165172984
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]-3-methylbutanoic acid
CID 98005352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid (CID 15003857) is (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid is C/C=C/SSC[C@@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid?
The InChIKey is UONBGLRRZCOLDM-WVSAJJKCSA-N. The full InChI is InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m1/s1.
What are the key properties of (2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid?
(2S)-2-amino-3-[[(E)-prop-1-enyl]disulfanyl]propanoic acid has a molecular weight of 193.29 g/mol, XLogP of 1.31, 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-[[(E)-prop-1-enyl]disulfanyl]propanoic acid is sourced from PubChem (CID 15003857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).