3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid

C20H19N3O5 — CID 174704575

IUPAC3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O
InChIInChI=1S/C20H19N3O5/c24-16(25)6-9-21-19(27)17-18(26)14-8-11-23(20(28)15(14)12-22-17)10-7-13-4-2-1-3-5-13/h1-5,8,11-12,26H,6-7,9-10H2,(H,21,27)(H,24,25)
InChIKeyRSAWBTBSEAEKEZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.55
Rot. Bonds7

About 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid

3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid (PubChem CID 174704575) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid
PubChem CID174704575
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O
InChIInChI=1S/C20H19N3O5/c24-16(25)6-9-21-19(27)17-18(26)14-8-11-23(20(28)15(14)12-22-17)10-7-13-4-2-1-3-5-13/h1-5,8,11-12,26H,6-7,9-10H2,(H,21,27)(H,24,25)
InChIKeyRSAWBTBSEAEKEZ-UHFFFAOYSA-N
XLogP1.55
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic 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 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid (CID 174704575) is 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O.
What is the InChIKey of 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is RSAWBTBSEAEKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c24-16(25)6-9-21-19(27)17-18(26)14-8-11-23(20(28)15(14)12-22-17)10-7-13-4-2-1-3-5-13/h1-5,8,11-12,26H,6-7,9-10H2,(H,21,27)(H,24,25).
What are the key properties of 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid?
3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 381.39 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 174704575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).