3-amino-5-oxopyrrolidine-3-carboxylic acid

C5H8N2O3 — CID 162691228

IUPAC3-amino-5-oxopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CNC(=O)C1
InChIInChI=1S/C5H8N2O3/c6-5(4(9)10)1-3(8)7-2-5/h1-2,6H2,(H,7,8)(H,9,10)
InChIKeyAHYRDDKUFNUYJT-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.71
Rot. Bonds1

About 3-amino-5-oxopyrrolidine-3-carboxylic acid

3-amino-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 162691228) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-amino-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-oxopyrrolidine-3-carboxylic acid
PubChem CID162691228
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name3-amino-5-oxopyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CNC(=O)C1
InChIInChI=1S/C5H8N2O3/c6-5(4(9)10)1-3(8)7-2-5/h1-2,6H2,(H,7,8)(H,9,10)
InChIKeyAHYRDDKUFNUYJT-UHFFFAOYSA-N
XLogP-1.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-5-oxopyrrolidine-3-carboxylic acid (CID 162691228) is 3-amino-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-5-oxopyrrolidine-3-carboxylic acid is NC1(C(=O)O)CNC(=O)C1.
What is the InChIKey of 3-amino-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is AHYRDDKUFNUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c6-5(4(9)10)1-3(8)7-2-5/h1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 3-amino-5-oxopyrrolidine-3-carboxylic acid?
3-amino-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162691228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).