lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate

C7H10LiNO5 — CID 141276819

IUPAClithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
SMILESCOC(=O)NC(C(=O)[O-])C1OC1C.[Li+]
InChIInChI=1S/C7H11NO5.Li/c1-3-5(13-3)4(6(9)10)8-7(11)12-2;/h3-5H,1-2H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyAKQBXKGQDQTHGE-UHFFFAOYSA-M
MW195.10 g/mol
LogP-4.75
Rot. Bonds3

About lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate

lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate (PubChem CID 141276819) has the molecular formula C7H10LiNO5 and a molecular weight of 195.10 g/mol. Its IUPAC name is lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate.

Molecular Properties

Compound Namelithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
PubChem CID141276819
Molecular FormulaC7H10LiNO5
Molecular Weight195.10 g/mol
Exact Mass195.07
IUPAC Namelithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate
SMILESCOC(=O)NC(C(=O)[O-])C1OC1C.[Li+]
InChIInChI=1S/C7H11NO5.Li/c1-3-5(13-3)4(6(9)10)8-7(11)12-2;/h3-5H,1-2H3,(H,8,11)(H,9,10);/q;+1/p-1
InChIKeyAKQBXKGQDQTHGE-UHFFFAOYSA-M
XLogP-4.75
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 5-4.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The IUPAC name of lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate (CID 141276819) is lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate.
What is the SMILES notation for lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The canonical SMILES for lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate is COC(=O)NC(C(=O)[O-])C1OC1C.[Li+].
What is the InChIKey of lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
The InChIKey is AKQBXKGQDQTHGE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO5.Li/c1-3-5(13-3)4(6(9)10)8-7(11)12-2;/h3-5H,1-2H3,(H,8,11)(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate?
lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate has a molecular weight of 195.10 g/mol, XLogP of -4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(methoxycarbonylamino)-2-(3-methyloxiran-2-yl)acetate is sourced from PubChem (CID 141276819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).