2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid

C19H24N4O5 — CID 175657257

IUPAC2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)COCC(=O)O
InChIInChI=1S/C19H24N4O5/c1-22(16(24)10-28-11-17(25)26)12-19(27)6-3-9-23(13-19)15-5-8-20-14-4-2-7-21-18(14)15/h2,4-5,7-8,27H,3,6,9-13H2,1H3,(H,25,26)
InChIKeyGFKMOKHZRFSAOP-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.52
Rot. Bonds7

About 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid

2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 175657257) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid
PubChem CID175657257
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)COCC(=O)O
InChIInChI=1S/C19H24N4O5/c1-22(16(24)10-28-11-17(25)26)12-19(27)6-3-9-23(13-19)15-5-8-20-14-4-2-7-21-18(14)15/h2,4-5,7-8,27H,3,6,9-13H2,1H3,(H,25,26)
InChIKeyGFKMOKHZRFSAOP-UHFFFAOYSA-N
XLogP0.52
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid (CID 175657257) is 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid is CN(CC1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GFKMOKHZRFSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-22(16(24)10-28-11-17(25)26)12-19(27)6-3-9-23(13-19)15-5-8-20-14-4-2-7-21-18(14)15/h2,4-5,7-8,27H,3,6,9-13H2,1H3,(H,25,26).
What are the key properties of 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 388.42 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 175657257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).