methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate

C11H19NO5S — CID 107776583

IUPACmethyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate
SMILESCCC(C(N)=O)S(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C11H19NO5S/c1-3-8(10(12)14)18(15,16)7-11(4-5-11)6-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyPTQWVESERGPPJQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.01
Rot. Bonds7

About methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate

methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate (PubChem CID 107776583) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate
PubChem CID107776583
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Namemethyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate
SMILESCCC(C(N)=O)S(=O)(=O)CC1(CC(=O)OC)CC1
InChIInChI=1S/C11H19NO5S/c1-3-8(10(12)14)18(15,16)7-11(4-5-11)6-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyPTQWVESERGPPJQ-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate (CID 107776583) is methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate is CCC(C(N)=O)S(=O)(=O)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate?
The InChIKey is PTQWVESERGPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-8(10(12)14)18(15,16)7-11(4-5-11)6-9(13)17-2/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate has a molecular weight of 277.34 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(1-amino-1-oxobutan-2-yl)sulfonylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107776583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).