3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid

C15H23N3O2 — CID 82329915

IUPAC3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O2/c19-15(20)5-10-18(12-11-17-8-1-2-9-17)13-14-3-6-16-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20)
InChIKeyKSDQPJAIQZNYJJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds8

About 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid

3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 82329915) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID82329915
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCCC1)Cc1ccncc1
InChIInChI=1S/C15H23N3O2/c19-15(20)5-10-18(12-11-17-8-1-2-9-17)13-14-3-6-16-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20)
InChIKeyKSDQPJAIQZNYJJ-UHFFFAOYSA-N
XLogP1.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]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

Related Compounds

3-[2-morpholin-4-ylethyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82330460
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
3-[heptyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328776
3-[prop-2-enyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82327980
N-ethyl-4-piperidin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 54295861
3-[carbamoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 96605911
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
3-[[2-piperidin-1-ylethyl(propyl)amino]methyl]benzoic acid
CID 122034203
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 11971642

Frequently Asked Questions

What is the IUPAC name of 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 82329915) is 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is O=C(O)CCN(CCN1CCCC1)Cc1ccncc1.
What is the InChIKey of 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is KSDQPJAIQZNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(20)5-10-18(12-11-17-8-1-2-9-17)13-14-3-6-16-7-4-14/h3-4,6-7H,1-2,5,8-13H2,(H,19,20).
What are the key properties of 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82329915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).