(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid

C11H12N2O4 — CID 102944564

IUPAC(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1ccncc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H12N2O4/c14-10(13-7-3-5-12-6-4-7)8-1-2-9(17-8)11(15)16/h3-6,8-9H,1-2H2,(H,15,16)(H,12,13,14)/t8-,9+/m0/s1
InChIKeySRAVEAMSOVDZIO-DTWKUNHWSA-N
MW236.23 g/mol
LogP0.65
Rot. Bonds3

About (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102944564) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102944564
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1ccncc1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H12N2O4/c14-10(13-7-3-5-12-6-4-7)8-1-2-9(17-8)11(15)16/h3-6,8-9H,1-2H2,(H,15,16)(H,12,13,14)/t8-,9+/m0/s1
InChIKeySRAVEAMSOVDZIO-DTWKUNHWSA-N
XLogP0.65
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-4-yloxetane-2-carboxamide
CID 130979378
(2R,5S)-5-[(4-propan-2-ylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944341
5-[(4-methylsulfanylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687584
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
5-[(3-bromo-4-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688823
(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-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 107584585
(2R,5S)-5-[(3,5-dimethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944368
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102944564) is (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(Nc1ccncc1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is SRAVEAMSOVDZIO-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(13-7-3-5-12-6-4-7)8-1-2-9(17-8)11(15)16/h3-6,8-9H,1-2H2,(H,15,16)(H,12,13,14)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).