2-aminoaziridine-1-carboxylic acid

C3H6N2O2 — CID 154148433

IUPAC2-aminoaziridine-1-carboxylic acid
SMILESNC1CN1C(=O)O
InChIInChI=1S/C3H6N2O2/c4-2-1-5(2)3(6)7/h2H,1,4H2,(H,6,7)
InChIKeyHWEAQPXRRIRQME-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.74
Rot. Bonds

About 2-aminoaziridine-1-carboxylic acid

2-aminoaziridine-1-carboxylic acid (PubChem CID 154148433) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-aminoaziridine-1-carboxylic acid.

Molecular Properties

Compound Name2-aminoaziridine-1-carboxylic acid
PubChem CID154148433
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name2-aminoaziridine-1-carboxylic acid
SMILESNC1CN1C(=O)O
InChIInChI=1S/C3H6N2O2/c4-2-1-5(2)3(6)7/h2H,1,4H2,(H,6,7)
InChIKeyHWEAQPXRRIRQME-UHFFFAOYSA-N
XLogP-0.74
TPSA66.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.74
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoaziridine-1-carboxylic acid?
The IUPAC name of 2-aminoaziridine-1-carboxylic acid (CID 154148433) is 2-aminoaziridine-1-carboxylic acid.
What is the SMILES notation for 2-aminoaziridine-1-carboxylic acid?
The canonical SMILES for 2-aminoaziridine-1-carboxylic acid is NC1CN1C(=O)O.
What is the InChIKey of 2-aminoaziridine-1-carboxylic acid?
The InChIKey is HWEAQPXRRIRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2-1-5(2)3(6)7/h2H,1,4H2,(H,6,7).
What are the key properties of 2-aminoaziridine-1-carboxylic acid?
2-aminoaziridine-1-carboxylic acid has a molecular weight of 102.09 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoaziridine-1-carboxylic acid is sourced from PubChem (CID 154148433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).