(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid

C9H17NO6S2 — CID 104906584

IUPAC(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCOC(=O)CCS(=O)(=O)N[C@H](CCSC)C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-16-8(11)4-6-18(14,15)10-7(9(12)13)3-5-17-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyWEUYCQPSWGXYKS-SSDOTTSWSA-N
MW299.37 g/mol
LogP-0.32
Rot. Bonds9

About (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid

(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 104906584) has the molecular formula C9H17NO6S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid
PubChem CID104906584
Molecular FormulaC9H17NO6S2
Molecular Weight299.37 g/mol
Exact Mass299.05
IUPAC Name(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCOC(=O)CCS(=O)(=O)N[C@H](CCSC)C(=O)O
InChIInChI=1S/C9H17NO6S2/c1-16-8(11)4-6-18(14,15)10-7(9(12)13)3-5-17-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyWEUYCQPSWGXYKS-SSDOTTSWSA-N
XLogP-0.32
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
(2R)-2-(3-methoxypropylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 104906657
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
2-(cyclopropylmethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 64987474
4-methylsulfanyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 60892085
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824186
2-[(4-methoxy-4-oxobutyl)sulfonylamino]butanoic acid
CID 54952165
(2S)-2-(methoxyamino)-4-methylsulfanylbutanoic acid
CID 154085553
4-methylsulfanyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43170236
(2S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 55002285
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid (CID 104906584) is (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid is COC(=O)CCS(=O)(=O)N[C@H](CCSC)C(=O)O.
What is the InChIKey of (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is WEUYCQPSWGXYKS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO6S2/c1-16-8(11)4-6-18(14,15)10-7(9(12)13)3-5-17-2/h7,10H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid?
(2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxy-3-oxopropyl)sulfonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104906584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).