3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid

C15H23N3O3 — CID 82327071

IUPAC3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC)C(=O)CN(CCC(=O)O)Cc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)14(19)12-17(10-8-15(20)21)11-13-7-5-6-9-16-13/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,20,21)
InChIKeyATVRSSDSXKLDPE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds9

About 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid

3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid (PubChem CID 82327071) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
PubChem CID82327071
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
SMILESCCN(CC)C(=O)CN(CCC(=O)O)Cc1ccccn1
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)14(19)12-17(10-8-15(20)21)11-13-7-5-6-9-16-13/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,20,21)
InChIKeyATVRSSDSXKLDPE-UHFFFAOYSA-N
XLogP1.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)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-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
3-[ethyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 61007981
3-[pyridin-2-ylmethyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329917
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 10969990
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid (CID 82327071) is 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid is CCN(CC)C(=O)CN(CCC(=O)O)Cc1ccccn1.
What is the InChIKey of 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
The InChIKey is ATVRSSDSXKLDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18(4-2)14(19)12-17(10-8-15(20)21)11-13-7-5-6-9-16-13/h5-7,9H,3-4,8,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid?
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82327071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).