3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid

C14H20N2O3 — CID 58001916

IUPAC3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid
SMILESCc1nc2c(c(C)c1OCCC(=O)O)CCCN2C
InChIInChI=1S/C14H20N2O3/c1-9-11-5-4-7-16(3)14(11)15-10(2)13(9)19-8-6-12(17)18/h4-8H2,1-3H3,(H,17,18)
InChIKeyWGCKSALZJNQBBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds4

About 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid

3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid (PubChem CID 58001916) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid.

Molecular Properties

Compound Name3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid
PubChem CID58001916
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid
SMILESCc1nc2c(c(C)c1OCCC(=O)O)CCCN2C
InChIInChI=1S/C14H20N2O3/c1-9-11-5-4-7-16(3)14(11)15-10(2)13(9)19-8-6-12(17)18/h4-8H2,1-3H3,(H,17,18)
InChIKeyWGCKSALZJNQBBK-UHFFFAOYSA-N
XLogP1.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid?
The IUPAC name of 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid (CID 58001916) is 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid.
What is the SMILES notation for 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid?
The canonical SMILES for 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid is Cc1nc2c(c(C)c1OCCC(=O)O)CCCN2C.
What is the InChIKey of 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid?
The InChIKey is WGCKSALZJNQBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-11-5-4-7-16(3)14(11)15-10(2)13(9)19-8-6-12(17)18/h4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid?
3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,8-trimethyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)oxy]propanoic acid is sourced from PubChem (CID 58001916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).