methyl 3-methyl-2-(sulfamoylamino)butanoate

C6H14N2O4S — CID 19424464

IUPACmethyl 3-methyl-2-(sulfamoylamino)butanoate
SMILESCOC(=O)C(NS(N)(=O)=O)C(C)C
InChIInChI=1S/C6H14N2O4S/c1-4(2)5(6(9)12-3)8-13(7,10)11/h4-5,8H,1-3H3,(H2,7,10,11)
InChIKeyASTNIPDNEIDUMA-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.02
Rot. Bonds4

About methyl 3-methyl-2-(sulfamoylamino)butanoate

methyl 3-methyl-2-(sulfamoylamino)butanoate (PubChem CID 19424464) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 3-methyl-2-(sulfamoylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(sulfamoylamino)butanoate
PubChem CID19424464
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Namemethyl 3-methyl-2-(sulfamoylamino)butanoate
SMILESCOC(=O)C(NS(N)(=O)=O)C(C)C
InChIInChI=1S/C6H14N2O4S/c1-4(2)5(6(9)12-3)8-13(7,10)11/h4-5,8H,1-3H3,(H2,7,10,11)
InChIKeyASTNIPDNEIDUMA-UHFFFAOYSA-N
XLogP-1.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(sulfamoylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(sulfamoylamino)butanoate (CID 19424464) is methyl 3-methyl-2-(sulfamoylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(sulfamoylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(sulfamoylamino)butanoate is COC(=O)C(NS(N)(=O)=O)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(sulfamoylamino)butanoate?
The InChIKey is ASTNIPDNEIDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-4(2)5(6(9)12-3)8-13(7,10)11/h4-5,8H,1-3H3,(H2,7,10,11).
What are the key properties of methyl 3-methyl-2-(sulfamoylamino)butanoate?
methyl 3-methyl-2-(sulfamoylamino)butanoate has a molecular weight of 210.25 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(sulfamoylamino)butanoate is sourced from PubChem (CID 19424464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).