lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate

C18H25LiN2O4 — CID 168874390

IUPAClithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(=O)[O-])nc21.[Li+]
InChIInChI=1S/C18H26N2O4.Li/c1-18(2,3)24-17(23)20-12-6-7-13-10-11-14(19-16(13)20)8-4-5-9-15(21)22;/h10-11H,4-9,12H2,1-3H3,(H,21,22);/q;+1/p-1
InChIKeySGYZNRAJKDADRA-UHFFFAOYSA-M
MW340.35 g/mol
LogP-0.76
Rot. Bonds5

About lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate

lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate (PubChem CID 168874390) has the molecular formula C18H25LiN2O4 and a molecular weight of 340.35 g/mol. Its IUPAC name is lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate.

Molecular Properties

Compound Namelithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
PubChem CID168874390
Molecular FormulaC18H25LiN2O4
Molecular Weight340.35 g/mol
Exact Mass340.20
IUPAC Namelithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(=O)[O-])nc21.[Li+]
InChIInChI=1S/C18H26N2O4.Li/c1-18(2,3)24-17(23)20-12-6-7-13-10-11-14(19-16(13)20)8-4-5-9-15(21)22;/h10-11H,4-9,12H2,1-3H3,(H,21,22);/q;+1/p-1
InChIKeySGYZNRAJKDADRA-UHFFFAOYSA-M
XLogP-0.76
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate with MolForge

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Related Compounds

5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
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
tert-butyl 7-[4-[[2-(dimethylamino)-2-hydroxyethyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 175209042
(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
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-[6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]hexyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142754710
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
tert-butyl 7-[2-[(4-iodophenyl)methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 153467939
tert-butyl 7-[2-[(3-amino-2-formylprop-2-enylidene)amino]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 159122698

Frequently Asked Questions

What is the IUPAC name of lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate?
The IUPAC name of lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate (CID 168874390) is lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate.
What is the SMILES notation for lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate?
The canonical SMILES for lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate is CC(C)(C)OC(=O)N1CCCc2ccc(CCCCC(=O)[O-])nc21.[Li+].
What is the InChIKey of lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate?
The InChIKey is SGYZNRAJKDADRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O4.Li/c1-18(2,3)24-17(23)20-12-6-7-13-10-11-14(19-16(13)20)8-4-5-9-15(21)22;/h10-11H,4-9,12H2,1-3H3,(H,21,22);/q;+1/p-1.
What are the key properties of lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate?
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate has a molecular weight of 340.35 g/mol, XLogP of -0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate is sourced from PubChem (CID 168874390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).