1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid

C14H15NO5 — CID 135377645

IUPAC1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid
SMILESCCC1(C(=O)O)CC1(CC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C14H15NO5/c1-2-13(11(17)18)8-14(13,12(19)20)7-10(16)9-5-3-4-6-15-9/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeySVVNFAFFNZKZQR-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.61
Rot. Bonds6

About 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid

1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid (PubChem CID 135377645) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid
PubChem CID135377645
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid
SMILESCCC1(C(=O)O)CC1(CC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C14H15NO5/c1-2-13(11(17)18)8-14(13,12(19)20)7-10(16)9-5-3-4-6-15-9/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeySVVNFAFFNZKZQR-UHFFFAOYSA-N
XLogP1.61
TPSA104.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid (CID 135377645) is 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid is CCC1(C(=O)O)CC1(CC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid?
The InChIKey is SVVNFAFFNZKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-2-13(11(17)18)8-14(13,12(19)20)7-10(16)9-5-3-4-6-15-9/h3-6H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid?
1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 135377645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).