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

C14H18N2O4 — CID 121229878

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCc2nc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-8-4-5-9-11(16)7-6-10(15-9)12(17)18/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJNZFNJWPMFIDLP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.47
Rot. Bonds1

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

5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid (PubChem CID 121229878) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid
PubChem CID121229878
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCc2nc(C(=O)O)ccc21
InChIInChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-8-4-5-9-11(16)7-6-10(15-9)12(17)18/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJNZFNJWPMFIDLP-UHFFFAOYSA-N
XLogP2.47
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid (CID 121229878) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCc2nc(C(=O)O)ccc21.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid?
The InChIKey is JNZFNJWPMFIDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-8-4-5-9-11(16)7-6-10(15-9)12(17)18/h6-7H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 121229878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).