2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid

C14H15NO3 — CID 69405776

IUPAC2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)C1CCc2ccccc2N1
InChIInChI=1S/C14H15NO3/c16-13(9-7-10(9)14(17)18)12-6-5-8-3-1-2-4-11(8)15-12/h1-4,9-10,12,15H,5-7H2,(H,17,18)
InChIKeyYFIBAWLQYACSEW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds3

About 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid

2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 69405776) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID69405776
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)C1CCc2ccccc2N1
InChIInChI=1S/C14H15NO3/c16-13(9-7-10(9)14(17)18)12-6-5-8-3-1-2-4-11(8)15-12/h1-4,9-10,12,15H,5-7H2,(H,17,18)
InChIKeyYFIBAWLQYACSEW-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
2,3,4,5-tetrahydro-1H-1-benzazepine-2-carboxylic acid
CID 75355585
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
N-(2-adamantyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 59658231
N-methyl-N-(2-methyl-3-oxobutan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 54070703
N-(2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24690959
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24705995
3-(2,3-dihydro-1H-indole-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 77110035
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103495813
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 61435167

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid (CID 69405776) is 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)C1CCc2ccccc2N1.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is YFIBAWLQYACSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(9-7-10(9)14(17)18)12-6-5-8-3-1-2-4-11(8)15-12/h1-4,9-10,12,15H,5-7H2,(H,17,18).
What are the key properties of 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid?
2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinoline-2-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 69405776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).