lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate

C11H15LiN2O4 — CID 71014496

IUPAClithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOCCN1C[C@H](C(=O)[O-])[C@@H](c2cnco2)C1.[Li+]
InChIInChI=1S/C11H16N2O4.Li/c1-16-3-2-13-5-8(9(6-13)11(14)15)10-4-12-7-17-10;/h4,7-9H,2-3,5-6H2,1H3,(H,14,15);/q;+1/p-1/t8-,9-;/m0./s1
InChIKeyHNVYQKPAOAELGT-OZZZDHQUSA-M
MW246.19 g/mol
LogP-3.91
Rot. Bonds5

About lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate

lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate (PubChem CID 71014496) has the molecular formula C11H15LiN2O4 and a molecular weight of 246.19 g/mol. Its IUPAC name is lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namelithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate
PubChem CID71014496
Molecular FormulaC11H15LiN2O4
Molecular Weight246.19 g/mol
Exact Mass246.12
IUPAC Namelithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate
SMILESCOCCN1C[C@H](C(=O)[O-])[C@@H](c2cnco2)C1.[Li+]
InChIInChI=1S/C11H16N2O4.Li/c1-16-3-2-13-5-8(9(6-13)11(14)15)10-4-12-7-17-10;/h4,7-9H,2-3,5-6H2,1H3,(H,14,15);/q;+1/p-1/t8-,9-;/m0./s1
InChIKeyHNVYQKPAOAELGT-OZZZDHQUSA-M
XLogP-3.91
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 5-3.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate?
The IUPAC name of lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate (CID 71014496) is lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate is COCCN1C[C@H](C(=O)[O-])[C@@H](c2cnco2)C1.[Li+].
What is the InChIKey of lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate?
The InChIKey is HNVYQKPAOAELGT-OZZZDHQUSA-M. The full InChI is InChI=1S/C11H16N2O4.Li/c1-16-3-2-13-5-8(9(6-13)11(14)15)10-4-12-7-17-10;/h4,7-9H,2-3,5-6H2,1H3,(H,14,15);/q;+1/p-1/t8-,9-;/m0./s1.
What are the key properties of lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate?
lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate has a molecular weight of 246.19 g/mol, XLogP of -3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R,4R)-1-(2-methoxyethyl)-4-(1,3-oxazol-5-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 71014496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).