3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid

C11H22N2O2 — CID 81468670

IUPAC3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CC(C)N(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-13(6-5-11(14)15)10-7-9(2)12(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyPFJDAGUIRJVMAH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.88
Rot. Bonds5

About 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid

3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid (PubChem CID 81468670) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid
PubChem CID81468670
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CC(C)N(C)C1
InChIInChI=1S/C11H22N2O2/c1-4-13(6-5-11(14)15)10-7-9(2)12(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyPFJDAGUIRJVMAH-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-(1,5-dimethylpyrrolidin-3-yl)amino]acetic acid
CID 81467953
3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
CID 79670643
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
1,2-dimethylaziridine;propanoic acid
CID 175486579
2-(N-(1,5-dimethylpyrrolidin-3-yl)-4-methylanilino)acetic acid
CID 81467547
3-[ethyl-(2-hydroxycyclopentyl)amino]propanoic acid
CID 61011037
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
4-[cyclopropyl(ethyl)amino]butan-2-one
CID 43243301
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-ethylamino]propanoic acid
CID 79181066
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
CID 169177393

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid (CID 81468670) is 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C1CC(C)N(C)C1.
What is the InChIKey of 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid?
The InChIKey is PFJDAGUIRJVMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13(6-5-11(14)15)10-7-9(2)12(3)8-10/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid?
3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrrolidin-3-yl)-ethylamino]propanoic acid is sourced from PubChem (CID 81468670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).