(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid

C15H14N2O4 — CID 102945466

IUPAC(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1cccc2ccncc12)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H14N2O4/c18-14(12-4-5-13(21-12)15(19)20)17-11-3-1-2-9-6-7-16-8-10(9)11/h1-3,6-8,12-13H,4-5H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyVJZLLSVGZBGQQW-QWHCGFSZSA-N
MW286.29 g/mol
LogP1.81
Rot. Bonds3

About (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945466) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945466
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(Nc1cccc2ccncc12)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C15H14N2O4/c18-14(12-4-5-13(21-12)15(19)20)17-11-3-1-2-9-6-7-16-8-10(9)11/h1-3,6-8,12-13H,4-5H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyVJZLLSVGZBGQQW-QWHCGFSZSA-N
XLogP1.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-bromo-4-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688823
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564
isoquinolin-8-ylurea
CID 67363282
5-[(2-bromophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687619
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
5-[(3-bromo-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102732434
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515
5-(pyrimidin-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688798
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-isoquinolin-8-ylcyclohexane-1-carboxamide
CID 56949895
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102945466) is (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid is O=C(Nc1cccc2ccncc12)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is VJZLLSVGZBGQQW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-14(12-4-5-13(21-12)15(19)20)17-11-3-1-2-9-6-7-16-8-10(9)11/h1-3,6-8,12-13H,4-5H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(isoquinolin-8-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).