(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H15NO4 — CID 90733619

IUPAC(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC[C@@H]1CC(C(=O)OC)=CCN1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-8-6-7(9(12)15-2)4-5-11(8)10(13)14/h4,8H,3,5-6H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyFCQCWXHEOVMXOA-MRVPVSSYSA-N
MW213.23 g/mol
LogP1.25
Rot. Bonds2

About (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid

(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 90733619) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID90733619
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC[C@@H]1CC(C(=O)OC)=CCN1C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-8-6-7(9(12)15-2)4-5-11(8)10(13)14/h4,8H,3,5-6H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyFCQCWXHEOVMXOA-MRVPVSSYSA-N
XLogP1.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 90733619) is (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is CC[C@@H]1CC(C(=O)OC)=CCN1C(=O)O.
What is the InChIKey of (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is FCQCWXHEOVMXOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-8-6-7(9(12)15-2)4-5-11(8)10(13)14/h4,8H,3,5-6H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid?
(2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 90733619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).