2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid

C10H16N2O4S — CID 79846760

IUPAC2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
SMILESCCC(C#N)S(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H16N2O4S/c1-2-8(7-11)17(15,16)12-10(4-3-5-10)6-9(13)14/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyMIWNKANLOPKVIW-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.61
Rot. Bonds6

About 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid

2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid (PubChem CID 79846760) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
PubChem CID79846760
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid
SMILESCCC(C#N)S(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C10H16N2O4S/c1-2-8(7-11)17(15,16)12-10(4-3-5-10)6-9(13)14/h8,12H,2-6H2,1H3,(H,13,14)
InChIKeyMIWNKANLOPKVIW-UHFFFAOYSA-N
XLogP0.61
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid (CID 79846760) is 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid is CCC(C#N)S(=O)(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid?
The InChIKey is MIWNKANLOPKVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-8(7-11)17(15,16)12-10(4-3-5-10)6-9(13)14/h8,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid?
2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid has a molecular weight of 260.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyanopropylsulfonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).