1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

C16H19NO4 — CID 43172331

IUPAC1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)CCC1CCCO1
InChIInChI=1S/C16H19NO4/c18-15(8-7-12-5-3-9-21-12)17-13-6-2-1-4-11(13)10-14(17)16(19)20/h1-2,4,6,12,14H,3,5,7-10H2,(H,19,20)
InChIKeyXDZOJCBKNWICIT-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.99
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid

1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43172331) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID43172331
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)CCC1CCCO1
InChIInChI=1S/C16H19NO4/c18-15(8-7-12-5-3-9-21-12)17-13-6-2-1-4-11(13)10-14(17)16(19)20/h1-2,4,6,12,14H,3,5,7-10H2,(H,19,20)
InChIKeyXDZOJCBKNWICIT-UHFFFAOYSA-N
XLogP1.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-(oxane-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 62760682
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
2-(oxan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875186
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7437096
3-(oxolan-2-yl)-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propan-1-one;hydrochloride
CID 119521161
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
(3R)-2-[2-[(2S)-oxan-2-yl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124609302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 43172331) is 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)CCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is XDZOJCBKNWICIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-15(8-7-12-5-3-9-21-12)17-13-6-2-1-4-11(13)10-14(17)16(19)20/h1-2,4,6,12,14H,3,5,7-10H2,(H,19,20).
What are the key properties of 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43172331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).