[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate

C10H19NO3S — CID 170446459

IUPAC[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
SMILESCC(=O)N[C@@H](CS)C(=O)O[C@H](C)C(C)C
InChIInChI=1S/C10H19NO3S/c1-6(2)7(3)14-10(13)9(5-15)11-8(4)12/h6-7,9,15H,5H2,1-4H3,(H,11,12)/t7-,9+/m1/s1
InChIKeyGQRBJSDDZUNTOW-APPZFPTMSA-N
MW233.33 g/mol
LogP1.01
Rot. Bonds5

About [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate

[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate (PubChem CID 170446459) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate.

Molecular Properties

Compound Name[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
PubChem CID170446459
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
SMILESCC(=O)N[C@@H](CS)C(=O)O[C@H](C)C(C)C
InChIInChI=1S/C10H19NO3S/c1-6(2)7(3)14-10(13)9(5-15)11-8(4)12/h6-7,9,15H,5H2,1-4H3,(H,11,12)/t7-,9+/m1/s1
InChIKeyGQRBJSDDZUNTOW-APPZFPTMSA-N
XLogP1.01
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate with MolForge

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Related Compounds

1-propan-2-yloxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263944
1-methoxyethyl 2-acetamido-3-sulfanylpropanoate
CID 163263817
[(2R)-4-methyl-3-oxopentan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate
CID 159000199
2-hydroxypropanoyl 2-acetamido-3-sulfanylpropaneperoxoate
CID 138986918
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
phosphono (2R)-2-acetamido-3-sulfanylpropanoate
CID 174794076
3-methylbutan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 107774194
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate?
The IUPAC name of [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate (CID 170446459) is [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate.
What is the SMILES notation for [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate?
The canonical SMILES for [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate is CC(=O)N[C@@H](CS)C(=O)O[C@H](C)C(C)C.
What is the InChIKey of [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate?
The InChIKey is GQRBJSDDZUNTOW-APPZFPTMSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-6(2)7(3)14-10(13)9(5-15)11-8(4)12/h6-7,9,15H,5H2,1-4H3,(H,11,12)/t7-,9+/m1/s1.
What are the key properties of [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate?
[(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate has a molecular weight of 233.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methylbutan-2-yl] (2R)-2-acetamido-3-sulfanylpropanoate is sourced from PubChem (CID 170446459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).