(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid

C19H23N3O5 — CID 68636941

IUPAC(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc2nccc([C@H]3OC(C)(C)O[C@@H]3[C@H]3CCN(C(=O)O)C3)c2n1
InChIInChI=1S/C19H23N3O5/c1-19(2)26-16(11-7-9-22(10-11)18(23)24)17(27-19)12-6-8-20-13-4-5-14(25-3)21-15(12)13/h4-6,8,11,16-17H,7,9-10H2,1-3H3,(H,23,24)/t11-,16+,17+/m0/s1
InChIKeyOSEAOAQDDXLITD-YMRXKLBXSA-N
MW373.41 g/mol
LogP2.83
Rot. Bonds3

About (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid

(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid (PubChem CID 68636941) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid
PubChem CID68636941
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc2nccc([C@H]3OC(C)(C)O[C@@H]3[C@H]3CCN(C(=O)O)C3)c2n1
InChIInChI=1S/C19H23N3O5/c1-19(2)26-16(11-7-9-22(10-11)18(23)24)17(27-19)12-6-8-20-13-4-5-14(25-3)21-15(12)13/h4-6,8,11,16-17H,7,9-10H2,1-3H3,(H,23,24)/t11-,16+,17+/m0/s1
InChIKeyOSEAOAQDDXLITD-YMRXKLBXSA-N
XLogP2.83
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid (CID 68636941) is (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid is COc1ccc2nccc([C@H]3OC(C)(C)O[C@@H]3[C@H]3CCN(C(=O)O)C3)c2n1.
What is the InChIKey of (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is OSEAOAQDDXLITD-YMRXKLBXSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2)26-16(11-7-9-22(10-11)18(23)24)17(27-19)12-6-8-20-13-4-5-14(25-3)21-15(12)13/h4-6,8,11,16-17H,7,9-10H2,1-3H3,(H,23,24)/t11-,16+,17+/m0/s1.
What are the key properties of (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid?
(3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4R,5R)-5-(6-methoxy-1,5-naphthyridin-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68636941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).