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

C12H16N2O2 — CID 124639157

IUPAC(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc2c(n1)NCCC2
InChIInChI=1S/C12H16N2O2/c1-2-9(12(15)16)10-6-5-8-4-3-7-13-11(8)14-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyVXLHEPBUIAWTHY-SECBINFHSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds3

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

(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid (PubChem CID 124639157) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
PubChem CID124639157
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)c1ccc2c(n1)NCCC2
InChIInChI=1S/C12H16N2O2/c1-2-9(12(15)16)10-6-5-8-4-3-7-13-11(8)14-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyVXLHEPBUIAWTHY-SECBINFHSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
4-[5-[1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4,3-trioxazolidin-5-yl]butanoic acid
CID 87967084
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
acetic acid;2-amino-4-[[6-methoxy-4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)heptyl]amino]butanoic acid
CID 175081539
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054842
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid
CID 153342598
2-(diethylcarbamoylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483447

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid?
The IUPAC name of (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid (CID 124639157) is (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid.
What is the SMILES notation for (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid?
The canonical SMILES for (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid is CC[C@@H](C(=O)O)c1ccc2c(n1)NCCC2.
What is the InChIKey of (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid?
The InChIKey is VXLHEPBUIAWTHY-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-9(12(15)16)10-6-5-8-4-3-7-13-11(8)14-10/h5-6,9H,2-4,7H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid?
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid is sourced from PubChem (CID 124639157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).