2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid

C8H13NO3 — CID 11997713

IUPAC2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CO2)CCCN1
InChIInChI=1S/C8H13NO3/c10-7(11)8(2-1-3-9-8)4-6-5-12-6/h6,9H,1-5H2,(H,10,11)
InChIKeyDBNXMINAGZSUMD-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.02
Rot. Bonds3

About 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid

2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 11997713) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID11997713
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CO2)CCCN1
InChIInChI=1S/C8H13NO3/c10-7(11)8(2-1-3-9-8)4-6-5-12-6/h6,9H,1-5H2,(H,10,11)
InChIKeyDBNXMINAGZSUMD-UHFFFAOYSA-N
XLogP-0.02
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 11997713) is 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(CC2CO2)CCCN1.
What is the InChIKey of 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DBNXMINAGZSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)8(2-1-3-9-8)4-6-5-12-6/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid?
2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11997713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).