(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid

C8H11NO3S2 — CID 140500809

IUPAC(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid
SMILESN[C@@H](CSSCc1ccco1)C(=O)O
InChIInChI=1S/C8H11NO3S2/c9-7(8(10)11)5-14-13-4-6-2-1-3-12-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyNORFOLCQXIOIQE-ZETCQYMHSA-N
MW233.31 g/mol
LogP1.57
Rot. Bonds6

About (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid

(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid (PubChem CID 140500809) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid
PubChem CID140500809
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid
SMILESN[C@@H](CSSCc1ccco1)C(=O)O
InChIInChI=1S/C8H11NO3S2/c9-7(8(10)11)5-14-13-4-6-2-1-3-12-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyNORFOLCQXIOIQE-ZETCQYMHSA-N
XLogP1.57
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid (CID 140500809) is (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid is N[C@@H](CSSCc1ccco1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid?
The InChIKey is NORFOLCQXIOIQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO3S2/c9-7(8(10)11)5-14-13-4-6-2-1-3-12-6/h1-3,7H,4-5,9H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid?
(2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(furan-2-ylmethyldisulfanyl)propanoic acid is sourced from PubChem (CID 140500809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).