2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid

C9H17NO6S — CID 65222422

IUPAC2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-3-4-7(9(12)13)5-10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPLGSPQCNELWRFC-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.42
Rot. Bonds8

About 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid

2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid (PubChem CID 65222422) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
PubChem CID65222422
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
SMILESCCCC(CNS(=O)(=O)CC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO6S/c1-3-4-7(9(12)13)5-10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPLGSPQCNELWRFC-UHFFFAOYSA-N
XLogP-0.42
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474747
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[[(3-methoxy-3-oxopropyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474833
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
CID 115301229
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
2-[(2-methoxy-2-oxoethyl)sulfonylamino]-3-methylpentanoic acid
CID 61359142
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]acetate
CID 113334739
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
2-[(2-methylsulfonylpropanoylamino)methyl]pentanoic acid
CID 104517676

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid (CID 65222422) is 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid is CCCC(CNS(=O)(=O)CC(=O)OC)C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is PLGSPQCNELWRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-3-4-7(9(12)13)5-10-17(14,15)6-8(11)16-2/h7,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid?
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 65222422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).