5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C12H14N2O4 — CID 107584585

IUPAC5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cncc(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C12H14N2O4/c1-7-4-8(6-13-5-7)14-11(15)9-2-3-10(18-9)12(16)17/h4-6,9-10H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOCMMFLHPDTXLM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.96
Rot. Bonds3

About 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 107584585) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID107584585
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCc1cncc(NC(=O)C2CCC(C(=O)O)O2)c1
InChIInChI=1S/C12H14N2O4/c1-7-4-8(6-13-5-7)14-11(15)9-2-3-10(18-9)12(16)17/h4-6,9-10H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyNOCMMFLHPDTXLM-UHFFFAOYSA-N
XLogP0.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
5-[(3-methyl-4-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688379
(2R,5S)-5-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 107677682
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 107584585) is 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is Cc1cncc(NC(=O)C2CCC(C(=O)O)O2)c1.
What is the InChIKey of 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is NOCMMFLHPDTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-4-8(6-13-5-7)14-11(15)9-2-3-10(18-9)12(16)17/h4-6,9-10H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107584585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).