3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid

C14H22N4O3 — CID 64896517

IUPAC3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
SMILESCN(C)CCN(Cc1cccnc1)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H22N4O3/c1-17(2)6-7-18(10-11-4-3-5-16-9-11)14(21)12(15)8-13(19)20/h3-5,9,12H,6-8,10,15H2,1-2H3,(H,19,20)
InChIKeyGUGYVYCCKXYZIO-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.23
Rot. Bonds8

About 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid

3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid (PubChem CID 64896517) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
PubChem CID64896517
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
SMILESCN(C)CCN(Cc1cccnc1)C(=O)C(N)CC(=O)O
InChIInChI=1S/C14H22N4O3/c1-17(2)6-7-18(10-11-4-3-5-16-9-11)14(21)12(15)8-13(19)20/h3-5,9,12H,6-8,10,15H2,1-2H3,(H,19,20)
InChIKeyGUGYVYCCKXYZIO-UHFFFAOYSA-N
XLogP-0.23
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic 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-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
2-amino-N-methyl-N-(pyridin-3-ylmethyl)butanediamide
CID 54928060
2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 43650188
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid (CID 64896517) is 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid is CN(C)CCN(Cc1cccnc1)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid?
The InChIKey is GUGYVYCCKXYZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)6-7-18(10-11-4-3-5-16-9-11)14(21)12(15)8-13(19)20/h3-5,9,12H,6-8,10,15H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid?
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid has a molecular weight of 294.36 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64896517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).