3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid

C15H18N2O4 — CID 80572841

IUPAC3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CNc2ccccc21)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H18N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10,16H,5-9H2,(H,17,18)(H,19,20)
InChIKeyJBXYSVYLVIIJOS-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds4

About 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 80572841) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID80572841
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CNc2ccccc21)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H18N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10,16H,5-9H2,(H,17,18)(H,19,20)
InChIKeyJBXYSVYLVIIJOS-UHFFFAOYSA-N
XLogP0.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66407808
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
CID 64889234
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 80572841) is 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid is O=C(CC1CNc2ccccc21)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is JBXYSVYLVIIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,10,16H,5-9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 80572841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).