lithium 1,3-oxazolidine-2-carboxylate

C4H6LiNO3 — CID 140974601

IUPAClithium 1,3-oxazolidine-2-carboxylate
SMILESO=C([O-])C1NCCO1.[Li+]
InChIInChI=1S/C4H7NO3.Li/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyNREFQUKOBGLTJY-UHFFFAOYSA-M
MW123.04 g/mol
LogP-5.31
Rot. Bonds1

About lithium 1,3-oxazolidine-2-carboxylate

lithium 1,3-oxazolidine-2-carboxylate (PubChem CID 140974601) has the molecular formula C4H6LiNO3 and a molecular weight of 123.04 g/mol. Its IUPAC name is lithium 1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namelithium 1,3-oxazolidine-2-carboxylate
PubChem CID140974601
Molecular FormulaC4H6LiNO3
Molecular Weight123.04 g/mol
Exact Mass123.05
IUPAC Namelithium 1,3-oxazolidine-2-carboxylate
SMILESO=C([O-])C1NCCO1.[Li+]
InChIInChI=1S/C4H7NO3.Li/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyNREFQUKOBGLTJY-UHFFFAOYSA-M
XLogP-5.31
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.04
LogP ≤ 5-5.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxazolidine-2-carboxylic acid
CID 13419880
Oxycarbonyl-5-oxazolidinone
CID 19965520
Oxaproline
CID 54004467
Trifluoromethyl 1,3-oxazolidine-2-carboxylate
CID 177001667
2-Methyl-1,3-oxazolidin-5-one
CID 19595572
Methyl 2-methyloxazolidine-2-carboxylate
CID 45086649
Methyl 1,3-oxazolidine-2-carboxylate
CID 53999762
1,3-Oxazolidine-2-carbonyl 1,3-oxazolidine-2-carboxylate
CID 54046288
Tert-butyl 1,3-oxazolidine-2-carboxylate
CID 68811203
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
Formyl 1,3-oxazolidine-2-carboxylate
CID 88015026
Ethyl oxazolidine-2-carboxylate
CID 118988997

Frequently Asked Questions

What is the IUPAC name of lithium 1,3-oxazolidine-2-carboxylate?
The IUPAC name of lithium 1,3-oxazolidine-2-carboxylate (CID 140974601) is lithium 1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for lithium 1,3-oxazolidine-2-carboxylate?
The canonical SMILES for lithium 1,3-oxazolidine-2-carboxylate is O=C([O-])C1NCCO1.[Li+].
What is the InChIKey of lithium 1,3-oxazolidine-2-carboxylate?
The InChIKey is NREFQUKOBGLTJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO3.Li/c6-4(7)3-5-1-2-8-3;/h3,5H,1-2H2,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 1,3-oxazolidine-2-carboxylate?
lithium 1,3-oxazolidine-2-carboxylate has a molecular weight of 123.04 g/mol, XLogP of -5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 140974601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).