(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt

C8H13LiNO4 — CID 156758166

IUPAC—
SMILESCC(C)(C)OC(=O)N1CC1C(=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);
InChIKeyFPGLVOGUMOOCSO-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.31
Rot. Bonds1

About (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt

(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt (PubChem CID 156758166) has the molecular formula C8H13LiNO4 and a molecular weight of 194.14 g/mol.

Molecular Properties

Compound Name(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
PubChem CID156758166
Molecular FormulaC8H13LiNO4
Molecular Weight194.14 g/mol
Exact Mass194.10
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1CC1C(=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);
InChIKeyFPGLVOGUMOOCSO-UHFFFAOYSA-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'}

Analyze (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt 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

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
tert-butyl (2S)-2-acetylaziridine-1-carboxylate
CID 125477207
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111
ethane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 172626143
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
(4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid
CID 89321697
(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 139024027
(2S,5S)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 135393430
(3S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 139014748
ethane;(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171535084
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt?
The IUPAC name of (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt (CID 156758166) is not available.
What is the SMILES notation for (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt?
The canonical SMILES for (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt is CC(C)(C)OC(=O)N1CC1C(=O)O.[Li].
What is the InChIKey of (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt?
The InChIKey is FPGLVOGUMOOCSO-UHFFFAOYSA-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);.
What are the key properties of (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt?
(2S)-1-tert-butoxycarbonylaziridine-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 (2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt is sourced from PubChem (CID 156758166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).