4-(1,8-naphthyridin-2-yl)butanoic acid

C12H12N2O2 — CID 25419194

IUPAC4-(1,8-naphthyridin-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2cccnc2n1
InChIInChI=1S/C12H12N2O2/c15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10/h2-3,6-8H,1,4-5H2,(H,15,16)
InChIKeyHFBITYXPNVQAGU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.04
Rot. Bonds4

About 4-(1,8-naphthyridin-2-yl)butanoic acid

4-(1,8-naphthyridin-2-yl)butanoic acid (PubChem CID 25419194) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(1,8-naphthyridin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,8-naphthyridin-2-yl)butanoic acid
PubChem CID25419194
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(1,8-naphthyridin-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2cccnc2n1
InChIInChI=1S/C12H12N2O2/c15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10/h2-3,6-8H,1,4-5H2,(H,15,16)
InChIKeyHFBITYXPNVQAGU-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2-pentyl-1,8-naphthyridine
CID 11481079
2-(1,8-naphthyridin-2-yl)acetamide
CID 66510813
N-[6-[2-(1,8-naphthyridin-2-yl)ethyl]-2-pyridinyl]acetamide
CID 91134508
ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
CID 175788688
2-aminopyridine-3-carbaldehyde;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate
CID 158633451
ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
CID 169205451
3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
CID 22570279
1-[3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutyl]oxypropan-2-one
CID 146463171
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005

Frequently Asked Questions

What is the IUPAC name of 4-(1,8-naphthyridin-2-yl)butanoic acid?
The IUPAC name of 4-(1,8-naphthyridin-2-yl)butanoic acid (CID 25419194) is 4-(1,8-naphthyridin-2-yl)butanoic acid.
What is the SMILES notation for 4-(1,8-naphthyridin-2-yl)butanoic acid?
The canonical SMILES for 4-(1,8-naphthyridin-2-yl)butanoic acid is O=C(O)CCCc1ccc2cccnc2n1.
What is the InChIKey of 4-(1,8-naphthyridin-2-yl)butanoic acid?
The InChIKey is HFBITYXPNVQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10/h2-3,6-8H,1,4-5H2,(H,15,16).
What are the key properties of 4-(1,8-naphthyridin-2-yl)butanoic acid?
4-(1,8-naphthyridin-2-yl)butanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-naphthyridin-2-yl)butanoic acid is sourced from PubChem (CID 25419194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).