2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid

C12H18N4O4S — CID 70945854

IUPAC2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)N1CCc2cccnc2C1)C(=O)O
InChIInChI=1S/C12H18N4O4S/c13-10(12(17)18)3-6-15-21(19,20)16-7-4-9-2-1-5-14-11(9)8-16/h1-2,5,10,15H,3-4,6-8,13H2,(H,17,18)
InChIKeyKHSAKCFJGAGBTH-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.92
Rot. Bonds6

About 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid

2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid (PubChem CID 70945854) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid
PubChem CID70945854
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)N1CCc2cccnc2C1)C(=O)O
InChIInChI=1S/C12H18N4O4S/c13-10(12(17)18)3-6-15-21(19,20)16-7-4-9-2-1-5-14-11(9)8-16/h1-2,5,10,15H,3-4,6-8,13H2,(H,17,18)
InChIKeyKHSAKCFJGAGBTH-UHFFFAOYSA-N
XLogP-0.92
TPSA125.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid (CID 70945854) is 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid is NC(CCNS(=O)(=O)N1CCc2cccnc2C1)C(=O)O.
What is the InChIKey of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid?
The InChIKey is KHSAKCFJGAGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c13-10(12(17)18)3-6-15-21(19,20)16-7-4-9-2-1-5-14-11(9)8-16/h1-2,5,10,15H,3-4,6-8,13H2,(H,17,18).
What are the key properties of 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid?
2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid has a molecular weight of 314.37 g/mol, XLogP of -0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 70945854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).