3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid

C21H24N2O3 — CID 22347498

IUPAC3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid
SMILESO=C(O)CCC1CC1c1ccc(OCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C21H24N2O3/c24-20(25)10-6-16-12-19(16)14-4-8-18(9-5-14)26-13-17-7-3-15-2-1-11-22-21(15)23-17/h3-5,7-9,16,19H,1-2,6,10-13H2,(H,22,23)(H,24,25)
InChIKeyZLQCBMOQODJIPC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds7

About 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid

3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid (PubChem CID 22347498) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid
PubChem CID22347498
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid
SMILESO=C(O)CCC1CC1c1ccc(OCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C21H24N2O3/c24-20(25)10-6-16-12-19(16)14-4-8-18(9-5-14)26-13-17-7-3-15-2-1-11-22-21(15)23-17/h3-5,7-9,16,19H,1-2,6,10-13H2,(H,22,23)(H,24,25)
InChIKeyZLQCBMOQODJIPC-UHFFFAOYSA-N
XLogP3.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid with MolForge

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Related Compounds

2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid
CID 22347663
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 22347519
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
CID 22347616
2-[2-[4-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 90807928
(2S)-2-[(2,6-dihydroxybenzoyl)amino]-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]propanoic acid
CID 143591535
2-[1-pyridin-3-yl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 10274234
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
3-[3-deuterio-5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid
CID 175756478
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid?
The IUPAC name of 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid (CID 22347498) is 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid?
The canonical SMILES for 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid is O=C(O)CCC1CC1c1ccc(OCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid?
The InChIKey is ZLQCBMOQODJIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(25)10-6-16-12-19(16)14-4-8-18(9-5-14)26-13-17-7-3-15-2-1-11-22-21(15)23-17/h3-5,7-9,16,19H,1-2,6,10-13H2,(H,22,23)(H,24,25).
What are the key properties of 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid?
3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid has a molecular weight of 352.43 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]propanoic acid is sourced from PubChem (CID 22347498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).