lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate

C14H17LiN2O4 — CID 138689723

IUPAClithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(C(=O)[O-])cn2)C1.[Li+]
InChIInChI=1S/C14H18N2O4.Li/c1-14(2,3)20-13(19)16-7-10(8-16)11-5-4-9(6-15-11)12(17)18;/h4-6,10H,7-8H2,1-3H3,(H,17,18);/q;+1/p-1
InChIKeyTZVFWNINJFKYTG-UHFFFAOYSA-M
MW284.24 g/mol
LogP-2.22
Rot. Bonds2

About lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate

lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate (PubChem CID 138689723) has the molecular formula C14H17LiN2O4 and a molecular weight of 284.24 g/mol. Its IUPAC name is lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
PubChem CID138689723
Molecular FormulaC14H17LiN2O4
Molecular Weight284.24 g/mol
Exact Mass284.13
IUPAC Namelithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc(C(=O)[O-])cn2)C1.[Li+]
InChIInChI=1S/C14H18N2O4.Li/c1-14(2,3)20-13(19)16-7-10(8-16)11-5-4-9(6-15-11)12(17)18;/h4-6,10H,7-8H2,1-3H3,(H,17,18);/q;+1/p-1
InChIKeyTZVFWNINJFKYTG-UHFFFAOYSA-M
XLogP-2.22
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 5-2.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 3-[4-(benzenesulfonyl)phenyl]azetidine-1-carboxylate
CID 162745981
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 3-(4-nitrosophenyl)azetidine-1-carboxylate
CID 177364546

Frequently Asked Questions

What is the IUPAC name of lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate?
The IUPAC name of lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate (CID 138689723) is lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccc(C(=O)[O-])cn2)C1.[Li+].
What is the InChIKey of lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate?
The InChIKey is TZVFWNINJFKYTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O4.Li/c1-14(2,3)20-13(19)16-7-10(8-16)11-5-4-9(6-15-11)12(17)18;/h4-6,10H,7-8H2,1-3H3,(H,17,18);/q;+1/p-1.
What are the key properties of lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate?
lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate has a molecular weight of 284.24 g/mol, XLogP of -2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 138689723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).