(2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt

C8H13LiNO4 — CID 156591892

IUPAC—
SMILESCC(C)(C)OC(=O)N1C[C@@H]1C(=O)O.[Li]
InChIInChI=1S/C8H13NO4.Li/c1-8(2,3)13-7(12)9-4-5(9)6(10)11;/h5H,4H2,1-3H3,(H,10,11);/t5-,9?;/m1./s1
InChIKeyFPGLVOGUMOOCSO-KDKCWTOHSA-N
MW194.14 g/mol
LogP0.31
Rot. Bonds1

About (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt

(2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt (PubChem CID 156591892) has the molecular formula C8H13LiNO4 and a molecular weight of 194.14 g/mol.

Molecular Properties

Compound Name(2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt
PubChem CID156591892
Molecular FormulaC8H13LiNO4
Molecular Weight194.14 g/mol
Exact Mass194.10
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C[C@@H]1C(=O)O.[Li]
InChIInChI=1S/C8H13NO4.Li/c1-8(2,3)13-7(12)9-4-5(9)6(10)11;/h5H,4H2,1-3H3,(H,10,11);/t5-,9?;/m1./s1
InChIKeyFPGLVOGUMOOCSO-KDKCWTOHSA-N
XLogP0.31
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt?
The IUPAC name of (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt (CID 156591892) is not available.
What is the SMILES notation for (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt?
The canonical SMILES for (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt is CC(C)(C)OC(=O)N1C[C@@H]1C(=O)O.[Li].
What is the InChIKey of (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt?
The InChIKey is FPGLVOGUMOOCSO-KDKCWTOHSA-N. The full InChI is InChI=1S/C8H13NO4.Li/c1-8(2,3)13-7(12)9-4-5(9)6(10)11;/h5H,4H2,1-3H3,(H,10,11);/t5-,9?;/m1./s1.
What are the key properties of (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt?
(2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt has a molecular weight of 194.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(tert-butoxy)carbonyl]aziridine-2-carboxylic acid, lithium salt is sourced from PubChem (CID 156591892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).