5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid

C10H12N2O4 — CID 69325426

IUPAC5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
SMILESNC=CCOC(=O)C1=CNC=C(C(=O)O)C1
InChIInChI=1S/C10H12N2O4/c11-2-1-3-16-10(15)8-4-7(9(13)14)5-12-6-8/h1-2,5-6,12H,3-4,11H2,(H,13,14)
InChIKeyXLZXIXMMZIQRSI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.15
Rot. Bonds4

About 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid

5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 69325426) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
PubChem CID69325426
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid
SMILESNC=CCOC(=O)C1=CNC=C(C(=O)O)C1
InChIInChI=1S/C10H12N2O4/c11-2-1-3-16-10(15)8-4-7(9(13)14)5-12-6-8/h1-2,5-6,12H,3-4,11H2,(H,13,14)
InChIKeyXLZXIXMMZIQRSI-UHFFFAOYSA-N
XLogP-0.15
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid (CID 69325426) is 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid is NC=CCOC(=O)C1=CNC=C(C(=O)O)C1.
What is the InChIKey of 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid?
The InChIKey is XLZXIXMMZIQRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-2-1-3-16-10(15)8-4-7(9(13)14)5-12-6-8/h1-2,5-6,12H,3-4,11H2,(H,13,14).
What are the key properties of 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid?
5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-2-enoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 69325426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).