tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C24H37N3O5 — CID 134500824

IUPACtert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)31-21(28)26-14-17(15-26)16-30-13-11-19-10-9-18-8-7-12-27(20(18)25-19)22(29)32-24(4,5)6/h9-10,17H,7-8,11-16H2,1-6H3
InChIKeyIVUZZYGWFAASAM-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 134500824) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID134500824
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Nametert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)31-21(28)26-14-17(15-26)16-30-13-11-19-10-9-18-8-7-12-27(20(18)25-19)22(29)32-24(4,5)6/h9-10,17H,7-8,11-16H2,1-6H3
InChIKeyIVUZZYGWFAASAM-UHFFFAOYSA-N
XLogP4.20
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 153467939
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
CID 165121279
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
tert-butyl 7-[5-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 178156106
tert-butyl 7-[2-[4-(methoxymethyl)pyrazol-1-yl]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 139422176
tert-butyl 7-[2-[(3-amino-2-formylprop-2-enylidene)amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 159122698
tert-butyl 7-[2-(3-formyl-4-nitrophenoxy)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142348403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 134500824) is tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1.
What is the InChIKey of tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is IVUZZYGWFAASAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-23(2,3)31-21(28)26-14-17(15-26)16-30-13-11-19-10-9-18-8-7-12-27(20(18)25-19)22(29)32-24(4,5)6/h9-10,17H,7-8,11-16H2,1-6H3.
What are the key properties of tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 447.58 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 134500824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).