(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one

C16H23N3O4 — CID 118036514

IUPAC(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one
SMILESCOC(OC)c1nc2c(cc1CN1CC[C@@H](O)C1=O)CCCN2
InChIInChI=1S/C16H23N3O4/c1-22-16(23-2)13-11(9-19-7-5-12(20)15(19)21)8-10-4-3-6-17-14(10)18-13/h8,12,16,20H,3-7,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyIUBNHPQCQDPQLE-GFCCVEGCSA-N
MW321.38 g/mol
LogP0.82
Rot. Bonds5

About (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one

(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one (PubChem CID 118036514) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one
PubChem CID118036514
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one
SMILESCOC(OC)c1nc2c(cc1CN1CC[C@@H](O)C1=O)CCCN2
InChIInChI=1S/C16H23N3O4/c1-22-16(23-2)13-11(9-19-7-5-12(20)15(19)21)8-10-4-3-6-17-14(10)18-13/h8,12,16,20H,3-7,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyIUBNHPQCQDPQLE-GFCCVEGCSA-N
XLogP0.82
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one (CID 118036514) is (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one is COC(OC)c1nc2c(cc1CN1CC[C@@H](O)C1=O)CCCN2.
What is the InChIKey of (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one?
The InChIKey is IUBNHPQCQDPQLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-16(23-2)13-11(9-19-7-5-12(20)15(19)21)8-10-4-3-6-17-14(10)18-13/h8,12,16,20H,3-7,9H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one?
(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 118036514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).