5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid

C9H11N3O4 — CID 104638978

IUPAC5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
SMILESNC(=O)OCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H11N3O4/c10-9(15)16-4-3-11-6-1-2-7(8(13)14)12-5-6/h1-2,5,11H,3-4H2,(H2,10,15)(H,13,14)
InChIKeyMGFGIYHRABXAQR-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.29
Rot. Bonds5

About 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid

5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid (PubChem CID 104638978) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
PubChem CID104638978
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
SMILESNC(=O)OCCNc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H11N3O4/c10-9(15)16-4-3-11-6-1-2-7(8(13)14)12-5-6/h1-2,5,11H,3-4H2,(H2,10,15)(H,13,14)
InChIKeyMGFGIYHRABXAQR-UHFFFAOYSA-N
XLogP0.29
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic 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

5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 115490672
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949

Frequently Asked Questions

What is the IUPAC name of 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid (CID 104638978) is 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid is NC(=O)OCCNc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid?
The InChIKey is MGFGIYHRABXAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c10-9(15)16-4-3-11-6-1-2-7(8(13)14)12-5-6/h1-2,5,11H,3-4H2,(H2,10,15)(H,13,14).
What are the key properties of 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid?
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104638978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).