5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid

C14H18N2O4 — CID 102687831

IUPAC5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H18N2O4/c1-16(9-6-10-4-7-15-8-5-10)13(17)11-2-3-12(20-11)14(18)19/h4-5,7-8,11-12H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyDHAXIXWIVIPLRU-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.71
Rot. Bonds5

About 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid

5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687831) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687831
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCN(CCc1ccncc1)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H18N2O4/c1-16(9-6-10-4-7-15-8-5-10)13(17)11-2-3-12(20-11)14(18)19/h4-5,7-8,11-12H,2-3,6,9H2,1H3,(H,18,19)
InChIKeyDHAXIXWIVIPLRU-UHFFFAOYSA-N
XLogP0.71
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
(2R,5S)-5-[methyl-[2-(methylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945300
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 72671555
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687831) is 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid is CN(CCc1ccncc1)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is DHAXIXWIVIPLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(9-6-10-4-7-15-8-5-10)13(17)11-2-3-12(20-11)14(18)19/h4-5,7-8,11-12H,2-3,6,9H2,1H3,(H,18,19).
What are the key properties of 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).