(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid

C6H11NO3S2 — CID 21152492

IUPAC(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid
SMILESCC(S)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO3S2/c1-3(12)5(8)7-4(2-11)6(9)10/h3-4,11-12H,2H2,1H3,(H,7,8)(H,9,10)/t3?,4-/m0/s1
InChIKeyODOSCUPDIXDNHR-BKLSDQPFSA-N
MW209.29 g/mol
LogP-0.20
Rot. Bonds4

About (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid

(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid (PubChem CID 21152492) has the molecular formula C6H11NO3S2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid
PubChem CID21152492
Molecular FormulaC6H11NO3S2
Molecular Weight209.29 g/mol
Exact Mass209.02
IUPAC Name(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid
SMILESCC(S)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO3S2/c1-3(12)5(8)7-4(2-11)6(9)10/h3-4,11-12H,2H2,1H3,(H,7,8)(H,9,10)/t3?,4-/m0/s1
InChIKeyODOSCUPDIXDNHR-BKLSDQPFSA-N
XLogP-0.20
TPSA66.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid (CID 21152492) is (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid is CC(S)C(=O)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid?
The InChIKey is ODOSCUPDIXDNHR-BKLSDQPFSA-N. The full InChI is InChI=1S/C6H11NO3S2/c1-3(12)5(8)7-4(2-11)6(9)10/h3-4,11-12H,2H2,1H3,(H,7,8)(H,9,10)/t3?,4-/m0/s1.
What are the key properties of (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid?
(2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid has a molecular weight of 209.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-sulfanyl-2-(2-sulfanylpropanoylamino)propanoic acid is sourced from PubChem (CID 21152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).