methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate

C12H24N2O6S — CID 12051191

IUPACmethyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NS(=O)(=O)N[C@H](C(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
InChIKeySFKPFAMBJXUDLI-UWVGGRQHSA-N
MW324.40 g/mol
LogP-0.19
Rot. Bonds8

About methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate

methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate (PubChem CID 12051191) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate
PubChem CID12051191
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Namemethyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NS(=O)(=O)N[C@H](C(=O)OC)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
InChIKeySFKPFAMBJXUDLI-UWVGGRQHSA-N
XLogP-0.19
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate (CID 12051191) is methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate is COC(=O)[C@@H](NS(=O)(=O)N[C@H](C(=O)OC)C(C)C)C(C)C.
What is the InChIKey of methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate?
The InChIKey is SFKPFAMBJXUDLI-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate?
methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate has a molecular weight of 324.40 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoylamino]-3-methylbutanoate is sourced from PubChem (CID 12051191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).