2-methylaziridine-2-carboxylic acid

C4H7NO2 — CID 21025960

IUPAC2-methylaziridine-2-carboxylic acid
SMILESCC1(C(=O)O)CN1
InChIInChI=1S/C4H7NO2/c1-4(2-5-4)3(6)7/h5H,2H2,1H3,(H,6,7)
InChIKeyLSVNQLRPVRJUQN-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.57
Rot. Bonds1

About 2-methylaziridine-2-carboxylic acid

2-methylaziridine-2-carboxylic acid (PubChem CID 21025960) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 2-methylaziridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methylaziridine-2-carboxylic acid
PubChem CID21025960
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name2-methylaziridine-2-carboxylic acid
SMILESCC1(C(=O)O)CN1
InChIInChI=1S/C4H7NO2/c1-4(2-5-4)3(6)7/h5H,2H2,1H3,(H,6,7)
InChIKeyLSVNQLRPVRJUQN-UHFFFAOYSA-N
XLogP-0.57
TPSA59.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.57
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-methylaziridine-2-carboxylic acid?
The IUPAC name of 2-methylaziridine-2-carboxylic acid (CID 21025960) is 2-methylaziridine-2-carboxylic acid.
What is the SMILES notation for 2-methylaziridine-2-carboxylic acid?
The canonical SMILES for 2-methylaziridine-2-carboxylic acid is CC1(C(=O)O)CN1.
What is the InChIKey of 2-methylaziridine-2-carboxylic acid?
The InChIKey is LSVNQLRPVRJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4(2-5-4)3(6)7/h5H,2H2,1H3,(H,6,7).
What are the key properties of 2-methylaziridine-2-carboxylic acid?
2-methylaziridine-2-carboxylic acid has a molecular weight of 101.10 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaziridine-2-carboxylic acid is sourced from PubChem (CID 21025960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).