2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid

C10H17NO6S — CID 55107526

IUPAC2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H17NO6S/c1-17-8(12)3-2-6-18(15,16)11-9(10(13)14)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,13,14)
InChIKeyNUVWITHDAMXEDG-UHFFFAOYSA-N
MW279.31 g/mol
LogP-0.28
Rot. Bonds8

About 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid

2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid (PubChem CID 55107526) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
PubChem CID55107526
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
SMILESCOC(=O)CCCS(=O)(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C10H17NO6S/c1-17-8(12)3-2-6-18(15,16)11-9(10(13)14)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,13,14)
InChIKeyNUVWITHDAMXEDG-UHFFFAOYSA-N
XLogP-0.28
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid (CID 55107526) is 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid is COC(=O)CCCS(=O)(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
The InChIKey is NUVWITHDAMXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-17-8(12)3-2-6-18(15,16)11-9(10(13)14)7-4-5-7/h7,9,11H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid?
2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid has a molecular weight of 279.31 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid is sourced from PubChem (CID 55107526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).