3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid

C14H14N2O4 — CID 64890184

IUPAC3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c17-12(16-14(13(18)19)5-6-20-8-14)11-7-9-3-1-2-4-10(9)15-11/h1-4,7,15H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyHAVOEAATOVSUOK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.14
Rot. Bonds3

About 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid

3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 64890184) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
PubChem CID64890184
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c17-12(16-14(13(18)19)5-6-20-8-14)11-7-9-3-1-2-4-10(9)15-11/h1-4,7,15H,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyHAVOEAATOVSUOK-UHFFFAOYSA-N
XLogP1.14
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methyl-1H-indole-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888814
3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64888237
N-(4-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 114696538
methyl 2-(1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 24967591
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
3-[(3,5-dibromobenzoyl)amino]oxolane-3-carboxylic acid
CID 107971497
N-morpholin-4-yl-1H-indole-2-carboxamide
CID 78908081
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
3-[(3-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64888035
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196
3-[(4-hydroxy-3-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 107674961
3-[(3-methylsulfonylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64888224

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid (CID 64890184) is 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)c1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is HAVOEAATOVSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12(16-14(13(18)19)5-6-20-8-14)11-7-9-3-1-2-4-10(9)15-11/h1-4,7,15H,5-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid?
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64890184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).