tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate

C19H23N3O5 — CID 70665764

IUPACtert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate
SMILESCn1c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2cc(C3CC3)cnc21
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-13(23)9-21-17(25)14-15(24)12-7-11(10-5-6-10)8-20-16(12)22(4)18(14)26/h7-8,10,24H,5-6,9H2,1-4H3,(H,21,25)
InChIKeyPHFUINDDTXVENS-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.59
Rot. Bonds4

About tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate

tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate (PubChem CID 70665764) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate
PubChem CID70665764
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nametert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate
SMILESCn1c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2cc(C3CC3)cnc21
InChIInChI=1S/C19H23N3O5/c1-19(2,3)27-13(23)9-21-17(25)14-15(24)12-7-11(10-5-6-10)8-20-16(12)22(4)18(14)26/h7-8,10,24H,5-6,9H2,1-4H3,(H,21,25)
InChIKeyPHFUINDDTXVENS-UHFFFAOYSA-N
XLogP1.59
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate (CID 70665764) is tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate is Cn1c(=O)c(C(=O)NCC(=O)OC(C)(C)C)c(O)c2cc(C3CC3)cnc21.
What is the InChIKey of tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate?
The InChIKey is PHFUINDDTXVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-19(2,3)27-13(23)9-21-17(25)14-15(24)12-7-11(10-5-6-10)8-20-16(12)22(4)18(14)26/h7-8,10,24H,5-6,9H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate?
tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate has a molecular weight of 373.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(6-cyclopropyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 70665764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).