2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid

C14H18N2O4 — CID 61370312

IUPAC2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCCOC(=O)c1ccc(N2CCCC2CC(=O)O)nc1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-6-12(15-9-10)16-7-3-4-11(16)8-13(17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRFKJHQVEPCUGHW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.70
Rot. Bonds5

About 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid

2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370312) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370312
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCCOC(=O)c1ccc(N2CCCC2CC(=O)O)nc1
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-6-12(15-9-10)16-7-3-4-11(16)8-13(17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyRFKJHQVEPCUGHW-UHFFFAOYSA-N
XLogP1.70
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
ethyl 6-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyridine-3-carboxylate
CID 103269869
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
2-[1-(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 83180688
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 32799778
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
CID 62217146
ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid (CID 61370312) is 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid is CCOC(=O)c1ccc(N2CCCC2CC(=O)O)nc1.
What is the InChIKey of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is RFKJHQVEPCUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-14(19)10-5-6-12(15-9-10)16-7-3-4-11(16)8-13(17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid?
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).