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

Analyze 1-ethyl-2-(2-oxo-2-pyridin-2-ylethyl)cyclopropane-1,2-dicarboxylic 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-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-pyridin-2-ylhexan-1-one
CID 556347
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
gadolinium;pyridine-2-carboxylic acid
CID 175231422
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
molecular iodine;1-pyridin-2-ylethanone
CID 169427217

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).