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

C15H23N3O2 — CID 82329917

IUPAC3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCCC1)Cc1ccccn1
InChIInChI=1S/C15H23N3O2/c19-15(20)6-10-18(12-11-17-8-3-4-9-17)13-14-5-1-2-7-16-14/h1-2,5,7H,3-4,6,8-13H2,(H,19,20)
InChIKeyUCLXTXPGSPXHJO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds8

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

3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (PubChem CID 82329917) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
PubChem CID82329917
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCN1CCCC1)Cc1ccccn1
InChIInChI=1S/C15H23N3O2/c19-15(20)6-10-18(12-11-17-8-3-4-9-17)13-14-5-1-2-7-16-14/h1-2,5,7H,3-4,6,8-13H2,(H,19,20)
InChIKeyUCLXTXPGSPXHJO-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

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Related Compounds

3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
3-[pyridin-4-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329915
N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline;hydrate
CID 67789872
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
3-[4-[2-[2-[bis(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]-10-[5-[bis(pyridin-2-ylmethyl)amino]-2-oxopentyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 146900989
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
methyl 3-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]propaneperoxoate
CID 139496437
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 10969990

Frequently Asked Questions

What is the IUPAC name of 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid (CID 82329917) is 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is O=C(O)CCN(CCN1CCCC1)Cc1ccccn1.
What is the InChIKey of 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
The InChIKey is UCLXTXPGSPXHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(20)6-10-18(12-11-17-8-3-4-9-17)13-14-5-1-2-7-16-14/h1-2,5,7H,3-4,6,8-13H2,(H,19,20).
What are the key properties of 3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid?
3-[pyridin-2-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-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82329917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).