2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

C13H20N2O5S — CID 166242068

IUPAC2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyYCAYABOZLAUNCR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.21
Rot. Bonds6

About 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid

2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (PubChem CID 166242068) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
PubChem CID166242068
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1
InChIInChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyYCAYABOZLAUNCR-UHFFFAOYSA-N
XLogP1.21
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid (CID 166242068) is 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)CC(C)(C)C)cn1.
What is the InChIKey of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
The InChIKey is YCAYABOZLAUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-13(2,3)9-15(8-12(16)17)21(18,19)10-5-6-11(20-4)14-7-10/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid?
2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl-[(6-methoxy-3-pyridinyl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 166242068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).