(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid

C6H11NO3S — CID 11063423

IUPAC(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
SMILESC[C@H](S)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-3(6(9)10)7-5(8)4(2)11/h3-4,11H,1-2H3,(H,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyOLUPPFVCOICYML-DMTCNVIQSA-N
MW177.22 g/mol
LogP-0.11
Rot. Bonds3

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

(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid (PubChem CID 11063423) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
PubChem CID11063423
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
SMILESC[C@H](S)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-3(6(9)10)7-5(8)4(2)11/h3-4,11H,1-2H3,(H,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKeyOLUPPFVCOICYML-DMTCNVIQSA-N
XLogP-0.11
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101209600
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
CID 131855428
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid (CID 11063423) is (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid is C[C@H](S)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid?
The InChIKey is OLUPPFVCOICYML-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3(6(9)10)7-5(8)4(2)11/h3-4,11H,1-2H3,(H,7,8)(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid?
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid has a molecular weight of 177.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 11063423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).