2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid

C11H20N2O5S — CID 54945247

IUPAC2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid
SMILESCC1CN(S(=O)(=O)N(CC(=O)O)C2CC2)CC(C)O1
InChIInChI=1S/C11H20N2O5S/c1-8-5-12(6-9(2)18-8)19(16,17)13(7-11(14)15)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyDNARZGPPOVLBRZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.11
Rot. Bonds5

About 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid

2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid (PubChem CID 54945247) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid
PubChem CID54945247
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid
SMILESCC1CN(S(=O)(=O)N(CC(=O)O)C2CC2)CC(C)O1
InChIInChI=1S/C11H20N2O5S/c1-8-5-12(6-9(2)18-8)19(16,17)13(7-11(14)15)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyDNARZGPPOVLBRZ-UHFFFAOYSA-N
XLogP-0.11
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid (CID 54945247) is 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid is CC1CN(S(=O)(=O)N(CC(=O)O)C2CC2)CC(C)O1.
What is the InChIKey of 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid?
The InChIKey is DNARZGPPOVLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8-5-12(6-9(2)18-8)19(16,17)13(7-11(14)15)10-3-4-10/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid?
2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid has a molecular weight of 292.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,6-dimethylmorpholin-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 54945247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).