3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid

C10H19NO6S — CID 81065444

IUPAC3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)C(C)C(=O)OC)CC(=O)O
InChIInChI=1S/C10H19NO6S/c1-4-8(5-9(12)13)6-11-18(15,16)7(2)10(14)17-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyCKTOAOWFPZFRMG-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.03
Rot. Bonds8

About 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid

3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 81065444) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID81065444
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)C(C)C(=O)OC)CC(=O)O
InChIInChI=1S/C10H19NO6S/c1-4-8(5-9(12)13)6-11-18(15,16)7(2)10(14)17-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyCKTOAOWFPZFRMG-UHFFFAOYSA-N
XLogP-0.03
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid (CID 81065444) is 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid is CCC(CNS(=O)(=O)C(C)C(=O)OC)CC(=O)O.
What is the InChIKey of 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is CKTOAOWFPZFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-4-8(5-9(12)13)6-11-18(15,16)7(2)10(14)17-3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid?
3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 281.33 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 81065444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).