(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid

C15H19N3O3 — CID 139573506

IUPAC(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid
SMILESCc1nccc2cc(CNC[C@](C)(O)CC(=O)O)cnc12
InChIInChI=1S/C15H19N3O3/c1-10-14-12(3-4-17-10)5-11(8-18-14)7-16-9-15(2,21)6-13(19)20/h3-5,8,16,21H,6-7,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyHQJVKWJJAAPJLW-OAHLLOKOSA-N
MW289.33 g/mol
LogP1.25
Rot. Bonds6

About (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid

(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid (PubChem CID 139573506) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid
PubChem CID139573506
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid
SMILESCc1nccc2cc(CNC[C@](C)(O)CC(=O)O)cnc12
InChIInChI=1S/C15H19N3O3/c1-10-14-12(3-4-17-10)5-11(8-18-14)7-16-9-15(2,21)6-13(19)20/h3-5,8,16,21H,6-7,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyHQJVKWJJAAPJLW-OAHLLOKOSA-N
XLogP1.25
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid?
The IUPAC name of (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid (CID 139573506) is (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid?
The canonical SMILES for (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid is Cc1nccc2cc(CNC[C@](C)(O)CC(=O)O)cnc12.
What is the InChIKey of (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid?
The InChIKey is HQJVKWJJAAPJLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-14-12(3-4-17-10)5-11(8-18-14)7-16-9-15(2,21)6-13(19)20/h3-5,8,16,21H,6-7,9H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid?
(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid is sourced from PubChem (CID 139573506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).