2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid

C11H19NO5S — CID 120517721

IUPAC2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)S(=O)(=O)CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H19NO5S/c1-11(2,3)18(16,17)7-9(13)12(6-10(14)15)8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyIZPPWPBSDBHPKK-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.28
Rot. Bonds5

About 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid

2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid (PubChem CID 120517721) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
PubChem CID120517721
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid
SMILESCC(C)(C)S(=O)(=O)CC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C11H19NO5S/c1-11(2,3)18(16,17)7-9(13)12(6-10(14)15)8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyIZPPWPBSDBHPKK-UHFFFAOYSA-N
XLogP0.28
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid (CID 120517721) is 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid is CC(C)(C)S(=O)(=O)CC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid?
The InChIKey is IZPPWPBSDBHPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-11(2,3)18(16,17)7-9(13)12(6-10(14)15)8-4-5-8/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid?
2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid has a molecular weight of 277.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylsulfonylacetyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 120517721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).