4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid

C9H13NO4 — CID 141390498

IUPAC4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOC(=O)C1C=CN(C(=O)O)CC1
InChIInChI=1S/C9H13NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyNANMNLOOQDMOQK-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.06
Rot. Bonds2

About 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid

4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 141390498) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID141390498
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCCOC(=O)C1C=CN(C(=O)O)CC1
InChIInChI=1S/C9H13NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h3,5,7H,2,4,6H2,1H3,(H,12,13)
InChIKeyNANMNLOOQDMOQK-UHFFFAOYSA-N
XLogP1.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-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

1-Tert-butyl 4-methyl 1,2,3,4-tetrahydropyridine-1,4-dicarboxylate
CID 129987078
methyl 4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate
CID 14918496
1-tert-butoxycarbonyl-3,4-dihydro-2H-pyridine-4-carboxylic acid
CID 70227818
1-O-tert-butyl 4-O-ethyl 3,4-dihydro-2H-pyridine-1,4-dicarboxylate
CID 135369193
1-acetyl-3,4-dihydro-2H-pyridine-4-carboxylic acid
CID 156301312
2-(1-methoxycarbonyl-4H-pyridin-4-yl)acetic acid
CID 11593610

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 141390498) is 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid is CCOC(=O)C1C=CN(C(=O)O)CC1.
What is the InChIKey of 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is NANMNLOOQDMOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-14-8(11)7-3-5-10(6-4-7)9(12)13/h3,5,7H,2,4,6H2,1H3,(H,12,13).
What are the key properties of 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid?
4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 141390498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).