lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide

C36H57LiN4O7 — CID 159653011

IUPAClithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CCC2)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCC1.[Li+].[OH-]
InChIInChI=1S/C19H30N2O3.C17H26N2O3.Li.H2O/c1-5-24-19(23)17(11-14(2)3)21-13-16(15(4)12-18(21)22)7-10-20-8-6-9-20;1-12(2)9-15(17(21)22)19-11-14(13(3)10-16(19)20)5-8-18-6-4-7-18;;/h12-14,17H,5-11H2,1-4H3;10-12,15H,4-9H2,1-3H3,(H,21,22);;1H2/q;;+1;/p-1
InChIKeyMRUVPTGMQZMTNO-UHFFFAOYSA-M
MW664.81 g/mol
LogP1.46
Rot. Bonds15

About lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide

lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide (PubChem CID 159653011) has the molecular formula C36H57LiN4O7 and a molecular weight of 664.81 g/mol. Its IUPAC name is lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide.

Molecular Properties

Compound Namelithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
PubChem CID159653011
Molecular FormulaC36H57LiN4O7
Molecular Weight664.81 g/mol
Exact Mass664.44
IUPAC Namelithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CCC2)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCC1.[Li+].[OH-]
InChIInChI=1S/C19H30N2O3.C17H26N2O3.Li.H2O/c1-5-24-19(23)17(11-14(2)3)21-13-16(15(4)12-18(21)22)7-10-20-8-6-9-20;1-12(2)9-15(17(21)22)19-11-14(13(3)10-16(19)20)5-8-18-6-4-7-18;;/h12-14,17H,5-11H2,1-4H3;10-12,15H,4-9H2,1-3H3,(H,21,22);;1H2/q;;+1;/p-1
InChIKeyMRUVPTGMQZMTNO-UHFFFAOYSA-M
XLogP1.46
TPSA144.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500664.81
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(dimethylamino)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
CID 175781285
CID 165064782
CID 165064782
(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2,6-difluoro-3-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2,6-difluoro-3-(trifluoromethyl)-5-(2,4,6-trimethylphenyl)phenyl]-8-methyl-5-oxononanoate;sulfane
CID 164986775
ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[2-fluoro-5-(3-methoxy-2,6-dimethylphenyl)-3-methylphenyl]-8-methyl-5-oxononanoate
CID 160965938
lithium;(3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoic acid;ethyl (3S)-6-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-3-[3-(4-cyclopropyl-3-fluoro-2,6-dimethylphenyl)-2,6-difluoro-5-(trifluoromethyl)phenyl]-8-methyl-5-oxononanoate;sulfane;hydroxide
CID 165101507
2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid
CID 159489843
lithium;ethyl 2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[5-[(3-fluoroazetidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 162037650
lithium;ethyl 2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate;2-[3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;hydroxide
CID 169430380
(2S)-2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984601
ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
CID 146183465
CID 164981375
CID 164981375

Frequently Asked Questions

What is the IUPAC name of lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide?
The IUPAC name of lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide (CID 159653011) is lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide.
What is the SMILES notation for lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide?
The canonical SMILES for lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide is CCOC(=O)C(CC(C)C)n1cc(CCN2CCC2)c(C)cc1=O.Cc1cc(=O)n(C(CC(C)C)C(=O)O)cc1CCN1CCC1.[Li+].[OH-].
What is the InChIKey of lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide?
The InChIKey is MRUVPTGMQZMTNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H30N2O3.C17H26N2O3.Li.H2O/c1-5-24-19(23)17(11-14(2)3)21-13-16(15(4)12-18(21)22)7-10-20-8-6-9-20;1-12(2)9-15(17(21)22)19-11-14(13(3)10-16(19)20)5-8-18-6-4-7-18;;/h12-14,17H,5-11H2,1-4H3;10-12,15H,4-9H2,1-3H3,(H,21,22);;1H2/q;;+1;/p-1.
What are the key properties of lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide?
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide has a molecular weight of 664.81 g/mol, XLogP of 1.46, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide is sourced from PubChem (CID 159653011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).