lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide

C12H16LiNO4 — CID 159941307

IUPAClithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
SMILESCc1cc(C(=O)O)ccc1N1CCOCC1.[Li+].[OH-]
InChIInChI=1S/C12H15NO3.Li.H2O/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13;;/h2-3,8H,4-7H2,1H3,(H,14,15);;1H2/q;+1;/p-1
InChIKeyOAXMFFXPPSBLQQ-UHFFFAOYSA-M
MW245.20 g/mol
LogP-1.64
Rot. Bonds2

About lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide

lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide (PubChem CID 159941307) has the molecular formula C12H16LiNO4 and a molecular weight of 245.20 g/mol. Its IUPAC name is lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide.

Molecular Properties

Compound Namelithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
PubChem CID159941307
Molecular FormulaC12H16LiNO4
Molecular Weight245.20 g/mol
Exact Mass245.12
IUPAC Namelithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
SMILESCc1cc(C(=O)O)ccc1N1CCOCC1.[Li+].[OH-]
InChIInChI=1S/C12H15NO3.Li.H2O/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13;;/h2-3,8H,4-7H2,1H3,(H,14,15);;1H2/q;+1;/p-1
InChIKeyOAXMFFXPPSBLQQ-UHFFFAOYSA-M
XLogP-1.64
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
3-methyl-4-(4-methylpiperazin-1-yl)benzoic acid
CID 62121474
4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbenzoic acid
CID 43342216
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-(3-methyl-4-morpholin-4-ylphenyl)prop-2-enoic acid
CID 76936167
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
4-(5-azaspiro[2.3]hexan-5-yl)-3-methylbenzoic acid
CID 79687571
4-(1,4-diazepan-1-yl)-3-methylbenzoic acid
CID 63212719
4-(4-acetyl-1,4-diazepan-1-yl)-3-methylbenzoic acid
CID 62122513
(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 138039163
3-morpholin-4-yl-4-(trifluoromethyl)benzoic acid
CID 121472254
4-(1,4,7-dioxazonan-7-ylsulfonyl)-3-methylbenzoic acid
CID 166273277

Frequently Asked Questions

What is the IUPAC name of lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide?
The IUPAC name of lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide (CID 159941307) is lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide.
What is the SMILES notation for lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide?
The canonical SMILES for lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide is Cc1cc(C(=O)O)ccc1N1CCOCC1.[Li+].[OH-].
What is the InChIKey of lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide?
The InChIKey is OAXMFFXPPSBLQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO3.Li.H2O/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13;;/h2-3,8H,4-7H2,1H3,(H,14,15);;1H2/q;+1;/p-1.
What are the key properties of lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide?
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide has a molecular weight of 245.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide is sourced from PubChem (CID 159941307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).