3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

C12H21N3O3 — CID 107324760

IUPAC3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H21N3O3/c1-9(10(16)14-5-2-3-6-14)15-7-4-12(13,8-15)11(17)18/h9H,2-8,13H2,1H3,(H,17,18)
InChIKeyTUETZHJJRSZLAS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.51
Rot. Bonds3

About 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107324760) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107324760
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1CCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C12H21N3O3/c1-9(10(16)14-5-2-3-6-14)15-7-4-12(13,8-15)11(17)18/h9H,2-8,13H2,1H3,(H,17,18)
InChIKeyTUETZHJJRSZLAS-UHFFFAOYSA-N
XLogP-0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid (CID 107324760) is 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is CC(C(=O)N1CCCC1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is TUETZHJJRSZLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-9(10(16)14-5-2-3-6-14)15-7-4-12(13,8-15)11(17)18/h9H,2-8,13H2,1H3,(H,17,18).
What are the key properties of 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).