2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid

C15H27N3O3 — CID 116683311

IUPAC2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
SMILESCCN(CC)C1CCN(C(=O)N2CC(C(C)C(=O)O)C2)C1
InChIInChI=1S/C15H27N3O3/c1-4-16(5-2)13-6-7-17(10-13)15(21)18-8-12(9-18)11(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyMLRGXHWLMMBBGD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.17
Rot. Bonds5

About 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid

2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid (PubChem CID 116683311) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
PubChem CID116683311
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
SMILESCCN(CC)C1CCN(C(=O)N2CC(C(C)C(=O)O)C2)C1
InChIInChI=1S/C15H27N3O3/c1-4-16(5-2)13-6-7-17(10-13)15(21)18-8-12(9-18)11(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyMLRGXHWLMMBBGD-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid (CID 116683311) is 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid is CCN(CC)C1CCN(C(=O)N2CC(C(C)C(=O)O)C2)C1.
What is the InChIKey of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is MLRGXHWLMMBBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-16(5-2)13-6-7-17(10-13)15(21)18-8-12(9-18)11(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid?
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).