(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid

C14H15NO4 — CID 102944186

IUPAC(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3ccccc32)O1
InChIInChI=1S/C14H15NO4/c16-13(11-5-6-12(19-11)14(17)18)15-8-7-9-3-1-2-4-10(9)15/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyPNXJVVGCEFKCJV-NWDGAFQWSA-N
MW261.28 g/mol
LogP1.21
Rot. Bonds2

About (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102944186) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102944186
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3ccccc32)O1
InChIInChI=1S/C14H15NO4/c16-13(11-5-6-12(19-11)14(17)18)15-8-7-9-3-1-2-4-10(9)15/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m0/s1
InChIKeyPNXJVVGCEFKCJV-NWDGAFQWSA-N
XLogP1.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912
(2R,5S)-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)oxolane-2-carboxylic acid
CID 102945276
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
(1R,2S,4S,5R,6S,7S)-7-(2,3-dihydroindole-1-carbonyl)tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98189242
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid (CID 102944186) is (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N2CCc3ccccc32)O1.
What is the InChIKey of (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is PNXJVVGCEFKCJV-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H15NO4/c16-13(11-5-6-12(19-11)14(17)18)15-8-7-9-3-1-2-4-10(9)15/h1-4,11-12H,5-8H2,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).