methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate

C8H15NO6S — CID 55138401

IUPACmethyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C8H15NO6S/c1-5(7(10)14-3)9-16(12,13)6(2)8(11)15-4/h5-6,9H,1-4H3
InChIKeyLJTNMJCTSFVWIZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.97
Rot. Bonds5

About methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate

methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate (PubChem CID 55138401) has the molecular formula C8H15NO6S and a molecular weight of 253.28 g/mol. Its IUPAC name is methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
PubChem CID55138401
Molecular FormulaC8H15NO6S
Molecular Weight253.28 g/mol
Exact Mass253.06
IUPAC Namemethyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C8H15NO6S/c1-5(7(10)14-3)9-16(12,13)6(2)8(11)15-4/h5-6,9H,1-4H3
InChIKeyLJTNMJCTSFVWIZ-UHFFFAOYSA-N
XLogP-0.97
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate (CID 55138401) is methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate?
The InChIKey is LJTNMJCTSFVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6S/c1-5(7(10)14-3)9-16(12,13)6(2)8(11)15-4/h5-6,9H,1-4H3.
What are the key properties of methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate?
methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate has a molecular weight of 253.28 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate is sourced from PubChem (CID 55138401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).