tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate

C16H21N3O6 — CID 118978375

IUPACtert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate
SMILESCN1Cc2[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2CC1=O
InChIInChI=1S/C16H21N3O6/c1-16(2,3)25-11(21)6-17-14(23)12-13(22)8-5-10(20)19(4)7-9(8)18-15(12)24/h5-7H2,1-4H3,(H,17,23)(H2,18,22,24)
InChIKeyGKEKCTHMENJTJF-UHFFFAOYSA-N
MW351.36 g/mol
LogP-0.33
Rot. Bonds3

About tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate

tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate (PubChem CID 118978375) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate
PubChem CID118978375
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Nametert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate
SMILESCN1Cc2[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2CC1=O
InChIInChI=1S/C16H21N3O6/c1-16(2,3)25-11(21)6-17-14(23)12-13(22)8-5-10(20)19(4)7-9(8)18-15(12)24/h5-7H2,1-4H3,(H,17,23)(H2,18,22,24)
InChIKeyGKEKCTHMENJTJF-UHFFFAOYSA-N
XLogP-0.33
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 2-[(4-hydroxy-2-oxo-1,5,6,8-tetrahydropyrano[3,4-b]pyridine-3-carbonyl)amino]acetate
CID 118978377
2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetic acid
CID 130337763
tert-butyl 2-aminoacetate;tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate;ethyl 4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carboxylate;hydrochloride
CID 157319829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate (CID 118978375) is tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate is CN1Cc2[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2CC1=O.
What is the InChIKey of tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate?
The InChIKey is GKEKCTHMENJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c1-16(2,3)25-11(21)6-17-14(23)12-13(22)8-5-10(20)19(4)7-9(8)18-15(12)24/h5-7H2,1-4H3,(H,17,23)(H2,18,22,24).
What are the key properties of tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate?
tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate has a molecular weight of 351.36 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-hydroxy-7-methyl-2,6-dioxo-5,8-dihydro-1H-1,7-naphthyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 118978375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).