(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid

C6H11NO3S2 — CID 3049606

IUPAC(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid
SMILESC[C@@H](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+/m1/s1
InChIKeyODOSCUPDIXDNHR-DMTCNVIQSA-N
MW209.29 g/mol
LogP-0.20
Rot. Bonds4

About (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid

(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid (PubChem CID 3049606) has the molecular formula C6H11NO3S2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid
PubChem CID3049606
Molecular FormulaC6H11NO3S2
Molecular Weight209.29 g/mol
Exact Mass209.02
IUPAC Name(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid
SMILESC[C@@H](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+/m1/s1
InChIKeyODOSCUPDIXDNHR-DMTCNVIQSA-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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Related Compounds

N-Acetyl-L-Cysteine
CID 12035
Tiopronin
CID 5483
N-acetyl-L-methionine
CID 448580
L-Cysteinylglycine
CID 439498
Bucillamine
CID 656604
L-cysteinylglycine zwitterion
CID 7098621
N-Acetyl-DL-methionine
CID 6180
N-Acetyl-DL-cysteine
CID 581
N-acetyl-D-methionine
CID 6991987
N,S-Diacetylcysteine
CID 65690
N,N'-Diacetyl-L-cystine
CID 6995101
N-Monoacetylcystine
CID 12049111

Frequently Asked Questions

What is the IUPAC name of (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid (CID 3049606) is (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid is C[C@@H](S)C(=O)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid?
The InChIKey is ODOSCUPDIXDNHR-DMTCNVIQSA-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+/m1/s1.
What are the key properties of (2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid?
(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]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-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 3049606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).