(2R)-2-amino-3-(methyldisulfanyl)propanoic acid

C4H9NO2S2 — CID 3080775

IUPAC(2R)-2-amino-3-(methyldisulfanyl)propanoic acid
SMILESCSSC[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyPYFNLWPQPNXHCS-VKHMYHEASA-N
MW167.25 g/mol
LogP0.41
Rot. Bonds4

About (2R)-2-amino-3-(methyldisulfanyl)propanoic acid

(2R)-2-amino-3-(methyldisulfanyl)propanoic acid (PubChem CID 3080775) has the molecular formula C4H9NO2S2 and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(methyldisulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(methyldisulfanyl)propanoic acid
PubChem CID3080775
Molecular FormulaC4H9NO2S2
Molecular Weight167.25 g/mol
Exact Mass167.01
IUPAC Name(2R)-2-amino-3-(methyldisulfanyl)propanoic acid
SMILESCSSC[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyPYFNLWPQPNXHCS-VKHMYHEASA-N
XLogP0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(methyldisulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(methyldisulfanyl)propanoic acid (CID 3080775) is (2R)-2-amino-3-(methyldisulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(methyldisulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(methyldisulfanyl)propanoic acid is CSSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(methyldisulfanyl)propanoic acid?
The InChIKey is PYFNLWPQPNXHCS-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2S2/c1-8-9-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-3-(methyldisulfanyl)propanoic acid?
(2R)-2-amino-3-(methyldisulfanyl)propanoic acid has a molecular weight of 167.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(methyldisulfanyl)propanoic acid is sourced from PubChem (CID 3080775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).