4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid

C10H19NO6S — CID 61359340

IUPAC4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid
SMILESCOC(=O)CS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO6S/c1-8(2)11(6-4-5-9(12)13)18(15,16)7-10(14)17-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyQYKCRAXVJXTOGC-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.06
Rot. Bonds8

About 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid

4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid (PubChem CID 61359340) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid
PubChem CID61359340
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid
SMILESCOC(=O)CS(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C10H19NO6S/c1-8(2)11(6-4-5-9(12)13)18(15,16)7-10(14)17-3/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyQYKCRAXVJXTOGC-UHFFFAOYSA-N
XLogP0.06
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]butanoic acid
CID 83067801
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
3-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
3-((3-Carboxypropyl)dimethylammonio)propane-1-sulfonate
CID 56969966
3-Carboxypropyl-dimethyl-(3-sulfopropyl)azanium
CID 56969967
2-[Butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
3-Carboxypropyl-dimethyl-(2-sulfoethyl)azanium
CID 89434832
2-[3-Carboxypropyl(dimethyl)azaniumyl]ethanesulfonate
CID 140741616
Methyl 1,1-dioxo-2-propan-2-yl-1,2-thiazolidine-5-carboxylate
CID 145722887
4-(Diethylsulfamoyl)butanoic acid
CID 28513641
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid (CID 61359340) is 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid is COC(=O)CS(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid?
The InChIKey is QYKCRAXVJXTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-8(2)11(6-4-5-9(12)13)18(15,16)7-10(14)17-3/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid?
4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid has a molecular weight of 281.33 g/mol, XLogP of 0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)sulfonyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61359340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).