4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C11H18N2O4 — CID 166757799

IUPAC4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOC(=O)C(N)CC1=CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-17-10(14)9(12)7-8-3-5-13(6-4-8)11(15)16/h3,9H,2,4-7,12H2,1H3,(H,15,16)
InChIKeyZPLCETYVNJLYGI-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.58
Rot. Bonds4

About 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 166757799) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID166757799
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOC(=O)C(N)CC1=CCN(C(=O)O)CC1
InChIInChI=1S/C11H18N2O4/c1-2-17-10(14)9(12)7-8-3-5-13(6-4-8)11(15)16/h3,9H,2,4-7,12H2,1H3,(H,15,16)
InChIKeyZPLCETYVNJLYGI-UHFFFAOYSA-N
XLogP0.58
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 166757799) is 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is CCOC(=O)C(N)CC1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is ZPLCETYVNJLYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-17-10(14)9(12)7-8-3-5-13(6-4-8)11(15)16/h3,9H,2,4-7,12H2,1H3,(H,15,16).
What are the key properties of 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-ethoxy-3-oxopropyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 166757799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).