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

C15H16N2O4 — CID 64890196

IUPAC3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1c[nH]c2ccccc12)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H16N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9H2,(H,17,18)(H,19,20)
InChIKeyKDPUDPGQBAQZCR-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.07
Rot. Bonds4

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

3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64890196) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64890196
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1c[nH]c2ccccc12)NC1(C(=O)O)CCOC1
InChIInChI=1S/C15H16N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9H2,(H,17,18)(H,19,20)
InChIKeyKDPUDPGQBAQZCR-UHFFFAOYSA-N
XLogP1.07
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
3-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888789
3-[(1H-indol-3-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248430
N-cyclopentyl-1-[[2-(1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 3993913
N-[1-(3-hydroxyazetidine-1-carbonyl)cyclopentyl]-2-(1H-indol-3-yl)acetamide
CID 75495447
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
N-(2-formyl-1,3-dihydroinden-2-yl)-2-(1H-indol-3-yl)acetamide
CID 89289825
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890580
3-(1H-indole-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890184

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 64890196) is 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid is O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is KDPUDPGQBAQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13(17-15(14(19)20)5-6-21-9-15)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).