1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid

C12H20N2O3 — CID 79308921

IUPAC1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CC(C(=O)O)C2)CCNC1
InChIInChI=1S/C12H20N2O3/c1-2-3-12(4-5-13-8-12)11(17)14-6-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)
InChIKeyDVZNEASYHGUJFG-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds4

About 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid

1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid (PubChem CID 79308921) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
PubChem CID79308921
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CC(C(=O)O)C2)CCNC1
InChIInChI=1S/C12H20N2O3/c1-2-3-12(4-5-13-8-12)11(17)14-6-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16)
InChIKeyDVZNEASYHGUJFG-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid (CID 79308921) is 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid is CCCC1(C(=O)N2CC(C(=O)O)C2)CCNC1.
What is the InChIKey of 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is DVZNEASYHGUJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-12(4-5-13-8-12)11(17)14-6-9(7-14)10(15)16/h9,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid?
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 79308921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).