2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid

C15H20N2O4 — CID 22319472

IUPAC2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CC(=O)O)nc21
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyKCZSLOVKEZQJNT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.40
Rot. Bonds2

About 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid

2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid (PubChem CID 22319472) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid
PubChem CID22319472
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CC(=O)O)nc21
InChIInChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyKCZSLOVKEZQJNT-UHFFFAOYSA-N
XLogP2.40
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid?
The IUPAC name of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid (CID 22319472) is 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid?
The canonical SMILES for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid is CC(C)(C)OC(=O)N1CCCc2ccc(CC(=O)O)nc21.
What is the InChIKey of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid?
The InChIKey is KCZSLOVKEZQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-4-5-10-6-7-11(9-12(18)19)16-13(10)17/h6-7H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid?
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetic acid is sourced from PubChem (CID 22319472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).