3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid

C10H13N3O3 — CID 62230948

IUPAC3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
SMILESCN(C)c1ncccc1NC(=O)CC(=O)O
InChIInChI=1S/C10H13N3O3/c1-13(2)10-7(4-3-5-11-10)12-8(14)6-9(15)16/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXXRYEQPHDQTZGZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.56
Rot. Bonds4

About 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid

3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid (PubChem CID 62230948) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
PubChem CID62230948
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
SMILESCN(C)c1ncccc1NC(=O)CC(=O)O
InChIInChI=1S/C10H13N3O3/c1-13(2)10-7(4-3-5-11-10)12-8(14)6-9(15)16/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXXRYEQPHDQTZGZ-UHFFFAOYSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic 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

2-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569324
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831
N-[2-(dimethylamino)-3-pyridinyl]-2-ethoxyacetamide
CID 60778535
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
3-(tert-butylamino)-N-[2-(dimethylamino)-3-pyridinyl]propanamide
CID 60849579
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
N-[2-(dimethylamino)-3-pyridinyl]-2-piperazin-1-ylacetamide
CID 60850191
(2S)-2-amino-N-[2-[[2-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82963467
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid (CID 62230948) is 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid is CN(C)c1ncccc1NC(=O)CC(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid?
The InChIKey is XXRYEQPHDQTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13(2)10-7(4-3-5-11-10)12-8(14)6-9(15)16/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid?
3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 62230948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).