2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

C10H18N2O5S — CID 113477618

IUPAC2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCSCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H18N2O5S/c1-7(3-4-18-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyQAXBRIJVBOUTKV-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.05
Rot. Bonds8

About 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 113477618) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID113477618
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCSCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C10H18N2O5S/c1-7(3-4-18-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyQAXBRIJVBOUTKV-UHFFFAOYSA-N
XLogP0.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
2-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
2-(2-aminoethoxy)-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740075
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963
(2R)-2-(4-methylsulfanylbutan-2-ylcarbamoylamino)butanoic acid
CID 104864315
2-[2-(hex-5-yn-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477621
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 65041410
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 113477618) is 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is CSCCC(C)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is QAXBRIJVBOUTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-7(3-4-18-2)11-10(16)12-8(13)5-17-6-9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 113477618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).