2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid

C10H12N2O2 — CID 22570252

IUPAC2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C10H12N2O2/c13-9(14)6-8-4-3-7-2-1-5-11-10(7)12-8/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)
InChIKeyJBVUZBPRQFCHKU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.07
Rot. Bonds2

About 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid

2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid (PubChem CID 22570252) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
PubChem CID22570252
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C10H12N2O2/c13-9(14)6-8-4-3-7-2-1-5-11-10(7)12-8/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)
InChIKeyJBVUZBPRQFCHKU-UHFFFAOYSA-N
XLogP1.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid
CID 135156560
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid (CID 22570252) is 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid is O=C(O)Cc1ccc2c(n1)NCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid?
The InChIKey is JBVUZBPRQFCHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9(14)6-8-4-3-7-2-1-5-11-10(7)12-8/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid?
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid has a molecular weight of 192.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid is sourced from PubChem (CID 22570252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).