(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C13H16N2O5 — CID 102944715

IUPAC(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H16N2O5/c1-2-19-12-8(4-3-7-14-12)15-11(16)9-5-6-10(20-9)13(17)18/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyWVDCGZYODLRKMN-VHSXEESVSA-N
MW280.28 g/mol
LogP1.05
Rot. Bonds5

About (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944715) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944715
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1ncccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H16N2O5/c1-2-19-12-8(4-3-7-14-12)15-11(16)9-5-6-10(20-9)13(17)18/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyWVDCGZYODLRKMN-VHSXEESVSA-N
XLogP1.05
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
5-[(2-bromophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687619
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945466
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 102944715) is (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is CCOc1ncccc1NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is WVDCGZYODLRKMN-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-19-12-8(4-3-7-14-12)15-11(16)9-5-6-10(20-9)13(17)18/h3-4,7,9-10H,2,5-6H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).