methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate

C11H19NO5S — CID 107776723

IUPACmethyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC(C)C(N)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-8(10(12)14)6-18(15,16)7-11(3-4-11)5-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyZEDHOBDFTOOXRP-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.13
Rot. Bonds7

About methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776723) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
PubChem CID107776723
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CC(C)C(N)=O)CC1
InChIInChI=1S/C11H19NO5S/c1-8(10(12)14)6-18(15,16)7-11(3-4-11)5-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyZEDHOBDFTOOXRP-UHFFFAOYSA-N
XLogP-0.13
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[1-[[2-(aminomethyl)-3,3,3-trifluoropropyl]sulfonylmethyl]cyclopropyl]acetate
CID 107778707
2-[1-[(3-Amino-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65441532
2-[1-[(3-Amino-2-methyl-3-oxopropyl)sulfinylmethyl]cyclopropyl]acetic acid
CID 65441563
2-[1-[2-(3-Amino-3-oxopropyl)sulfonylethylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441725
2-[1-[(1-Amino-1-oxopropan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
CID 65442155
2-[1-[(1-Amino-1-oxopropan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442530
2-[1-[(3-Amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65442731
2-[1-[(1-Amino-1-oxobutan-2-yl)sulfinylmethyl]cyclopropyl]acetic acid
CID 65442755
2-[1-[(1-Amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65443519
2-[1-[(2-Amino-2-oxoethyl)sulfonylmethyl]cyclopropyl]acetic acid
CID 65444323
Methyl 2-[1-[(3-amino-3-oxopropyl)sulfanylmethyl]cyclopropyl]acetate
CID 107776080
Methyl 2-[1-[(1-amino-1-oxopropan-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107776099

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate (CID 107776723) is methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CC(C)C(N)=O)CC1.
What is the InChIKey of methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is ZEDHOBDFTOOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-8(10(12)14)6-18(15,16)7-11(3-4-11)5-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 277.34 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-amino-2-methyl-3-oxopropyl)sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).