(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide

C6H12N2O2S — CID 11788589

IUPAC(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide
SMILESC[C@H](S)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C6H12N2O2S/c1-3(5(7)9)8-6(10)4(2)11/h3-4,11H,1-2H3,(H2,7,9)(H,8,10)/t3-,4+/m1/s1
InChIKeyZNUUPKFXRSHOSF-DMTCNVIQSA-N
MW176.24 g/mol
LogP-0.71
Rot. Bonds3

About (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide

(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide (PubChem CID 11788589) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide
PubChem CID11788589
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide
SMILESC[C@H](S)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C6H12N2O2S/c1-3(5(7)9)8-6(10)4(2)11/h3-4,11H,1-2H3,(H2,7,9)(H,8,10)/t3-,4+/m1/s1
InChIKeyZNUUPKFXRSHOSF-DMTCNVIQSA-N
XLogP-0.71
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Cysteinylglycine
CID 439498
L-cysteinylglycine zwitterion
CID 7098621
N-Acetylcysteinamide
CID 82333
N-Acetylcysteine amide
CID 10176265
Ala-Cys
CID 10058401
N-Acetyl-DL-methioninamide
CID 536763
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
[(2-Ammonio-3-mercaptopropanoyl)amino]acetate
CID 25244227
Alanylcysteine zwitterion
CID 155903251
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide?
The IUPAC name of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide (CID 11788589) is (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide is C[C@H](S)C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide?
The InChIKey is ZNUUPKFXRSHOSF-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-3(5(7)9)8-6(10)4(2)11/h3-4,11H,1-2H3,(H2,7,9)(H,8,10)/t3-,4+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide?
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanamide has a molecular weight of 176.24 g/mol, XLogP of -0.71, 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]propanamide is sourced from PubChem (CID 11788589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).