2-Aziridinecarboxylic acid, monolithium salt, (2S)-

C3H5LiNO2 — CID 131857328

IUPAC—
SMILESO=C(O)[C@@H]1CN1.[Li]
InChIInChI=1S/C3H5NO2.Li/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/t2-;/m0./s1
InChIKeyUUYBCTNKESNGIN-DKWTVANSSA-N
MW94.02 g/mol
LogP-1.34
Rot. Bonds1

About 2-Aziridinecarboxylic acid, monolithium salt, (2S)-

2-Aziridinecarboxylic acid, monolithium salt, (2S)- (PubChem CID 131857328) has the molecular formula C3H5LiNO2 and a molecular weight of 94.02 g/mol.

Molecular Properties

Compound Name2-Aziridinecarboxylic acid, monolithium salt, (2S)-
PubChem CID131857328
Molecular FormulaC3H5LiNO2
Molecular Weight94.02 g/mol
Exact Mass94.05
IUPAC Name—
SMILESO=C(O)[C@@H]1CN1.[Li]
InChIInChI=1S/C3H5NO2.Li/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/t2-;/m0./s1
InChIKeyUUYBCTNKESNGIN-DKWTVANSSA-N
XLogP-1.34
TPSA59.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.02
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aziridine-2-carboxylic acid
CID 193914
(S)-Aziridine-2-carboxylic acid
CID 11286438
Lithium L-aziridine-2-carboxylate
CID 23680485
(2S,3S)-3-Methyl-2-aziridinecarboxylic acid
CID 13894864
(2R)-Aziridine-2-carboxylic acid
CID 12771371
Aziridine-2-carboxylate
CID 3424444
Azanium aziridine-2-carboxylate
CID 13668610
3-Methylaziridine-2-carboxylic acid
CID 13894862
2-Methylaziridine-2-carboxylic acid
CID 21025960
Potassium aziridine-2-carboxylate
CID 23673795
L-aziridine-2-carboxylicacidlithiumsalt
CID 23682511
2-Aziridinecarboxylic acid sodium salt
CID 23682512

Frequently Asked Questions

What is the IUPAC name of 2-Aziridinecarboxylic acid, monolithium salt, (2S)-?
The IUPAC name of 2-Aziridinecarboxylic acid, monolithium salt, (2S)- (CID 131857328) is not available.
What is the SMILES notation for 2-Aziridinecarboxylic acid, monolithium salt, (2S)-?
The canonical SMILES for 2-Aziridinecarboxylic acid, monolithium salt, (2S)- is O=C(O)[C@@H]1CN1.[Li].
What is the InChIKey of 2-Aziridinecarboxylic acid, monolithium salt, (2S)-?
The InChIKey is UUYBCTNKESNGIN-DKWTVANSSA-N. The full InChI is InChI=1S/C3H5NO2.Li/c5-3(6)2-1-4-2;/h2,4H,1H2,(H,5,6);/t2-;/m0./s1.
What are the key properties of 2-Aziridinecarboxylic acid, monolithium salt, (2S)-?
2-Aziridinecarboxylic acid, monolithium salt, (2S)- has a molecular weight of 94.02 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Aziridinecarboxylic acid, monolithium salt, (2S)- is sourced from PubChem (CID 131857328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).