4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

C13H16N2O5 — CID 66241100

IUPAC4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESCCOC(=O)c1cccnc1NC1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-13(18)8-4-3-5-14-11(8)15-10-7-19-6-9(10)12(16)17/h3-5,9-10H,2,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyORVHTDMEGAQIDX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.77
Rot. Bonds5

About 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid

4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (PubChem CID 66241100) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
PubChem CID66241100
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
SMILESCCOC(=O)c1cccnc1NC1COCC1C(=O)O
InChIInChI=1S/C13H16N2O5/c1-2-20-13(18)8-4-3-5-14-11(8)15-10-7-19-6-9(10)12(16)17/h3-5,9-10H,2,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyORVHTDMEGAQIDX-UHFFFAOYSA-N
XLogP0.77
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
CID 63105364
ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
CID 110444216

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid (CID 66241100) is 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is CCOC(=O)c1cccnc1NC1COCC1C(=O)O.
What is the InChIKey of 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ORVHTDMEGAQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-20-13(18)8-4-3-5-14-11(8)15-10-7-19-6-9(10)12(16)17/h3-5,9-10H,2,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid?
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxycarbonyl-2-pyridinyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).