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

C34H49ClN6O13 — CID 157319829

About 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

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 (PubChem CID 157319829) has the molecular formula C34H49ClN6O13 and a molecular weight of 785.25 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157319829
• Molecular Formula: C34H49ClN6O13
• Molecular Weight: 785.25 g/mol
• Exact Mass: 784.30
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)CN.CCOC(=O)c1c(O)c2c([nH]c1=O)CN(C)C(=O)C2.CN1Cc2[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2CC1=O.Cl
• InChI: InChI=1S/C16H21N3O6.C12H14N2O5.C6H13NO2.ClH/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;1-3-19-12(18)9-10(16)6-4-8(15)14(2)5-7(6)13-11(9)17;1-6(2,3)9-5(8)4-7;/h5-7H2,1-4H3,(H,17,23)(H2,18,22,24);3-5H2,1-2H3,(H2,13,16,17);4,7H2,1-3H3;1H
• InChIKey: VYKZENPPYSTCNY-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 280.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.25
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)CN.CCOC(=O)c1c(O)c2c([nH]c1=O)CN(C)C(=O)C2.CN1Cc2[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2CC1=O.Cl.

What is the InChIKey of 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?

The InChIKey is VYKZENPPYSTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6.C12H14N2O5.C6H13NO2.ClH/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;1-3-19-12(18)9-10(16)6-4-8(15)14(2)5-7(6)13-11(9)17;1-6(2,3)9-5(8)4-7;/h5-7H2,1-4H3,(H,17,23)(H2,18,22,24);3-5H2,1-2H3,(H2,13,16,17);4,7H2,1-3H3;1H.

What are the key properties of 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?

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 has a molecular weight of 785.25 g/mol, XLogP of 0.15, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).