methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate

C11H19NO5S — CID 114232365

IUPACmethyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H19NO5S/c1-7(11(14)17-3)8(2)18(15,16)6-10(13)12-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyIEPKWCODOVUOCS-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.12
Rot. Bonds6

About methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate

methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate (PubChem CID 114232365) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate
PubChem CID114232365
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Namemethyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)S(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H19NO5S/c1-7(11(14)17-3)8(2)18(15,16)6-10(13)12-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyIEPKWCODOVUOCS-UHFFFAOYSA-N
XLogP-0.12
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166638056
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CID 146214700
Methyl 2-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406890
Methyl 2-[(1,1-dioxothiolane-3-carbonyl)amino]-3-methylbutanoate
CID 43422678
Methyl 3-methyl-2-(3-methylsulfonylpropanoylamino)butanoate
CID 43431344
2-[2-(3-Methylbutan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 54961943
N-(1-cyclopropylethyl)-3-(2-methylpropylsulfonyl)propanamide
CID 55773725
2-[2-(3-Methylbutan-2-ylamino)-2-oxoethyl]sulfonylacetic acid
CID 61489266
3-[2-(3-Methylbutan-2-ylamino)-2-oxoethyl]sulfonylpropanoic acid
CID 61489304
Methyl 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]-3-methylbutanoate
CID 61671476
Methyl 3-methyl-2-[(2-methylsulfonylacetyl)amino]butanoate
CID 61690068
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CID 64016945

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate?
The IUPAC name of methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate (CID 114232365) is methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate.
What is the SMILES notation for methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate?
The canonical SMILES for methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate is COC(=O)C(C)C(C)S(=O)(=O)CC(=O)NC1CC1.
What is the InChIKey of methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate?
The InChIKey is IEPKWCODOVUOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-7(11(14)17-3)8(2)18(15,16)6-10(13)12-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate?
methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate has a molecular weight of 277.34 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-2-methylbutanoate is sourced from PubChem (CID 114232365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).