2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid

C20H19NO4 — CID 166313890

IUPAC2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CC2
InChIInChI=1S/C20H19NO4/c22-18(23)12-13-5-6-15-7-9-21(17(15)11-13)20(24)19-16-4-2-1-3-14(16)8-10-25-19/h1-6,11,19H,7-10,12H2,(H,22,23)
InChIKeyIAPYMHXXEUADNX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid

2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid (PubChem CID 166313890) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
PubChem CID166313890
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CC2
InChIInChI=1S/C20H19NO4/c22-18(23)12-13-5-6-15-7-9-21(17(15)11-13)20(24)19-16-4-2-1-3-14(16)8-10-25-19/h1-6,11,19H,7-10,12H2,(H,22,23)
InChIKeyIAPYMHXXEUADNX-UHFFFAOYSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
CID 64592075
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(4-ethylphenyl)ethanone
CID 105081743
2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
CID 166313891
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
CID 60983754
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982
2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 167900966
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 102560490
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid (CID 166313890) is 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid is O=C(O)Cc1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CC2.
What is the InChIKey of 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The InChIKey is IAPYMHXXEUADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(23)12-13-5-6-15-7-9-21(17(15)11-13)20(24)19-16-4-2-1-3-14(16)8-10-25-19/h1-6,11,19H,7-10,12H2,(H,22,23).
What are the key properties of 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid has a molecular weight of 337.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid is sourced from PubChem (CID 166313890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).