2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

C15H17NO4 — CID 103997295

IUPAC2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1OCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H17NO4/c1-9-13(4-5-20-9)14(17)16-7-11-3-2-10(15(18)19)6-12(11)8-16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyVJUJWVJUOLGJMY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997295) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997295
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1OCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C15H17NO4/c1-9-13(4-5-20-9)14(17)16-7-11-3-2-10(15(18)19)6-12(11)8-16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyVJUJWVJUOLGJMY-UHFFFAOYSA-N
XLogP1.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107175900
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
CID 79759445
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329
2-(3-methoxycyclobutanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 136556441
2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999798
2-(5-methyloxolane-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 114824570
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997300
(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997295) is 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is CC1OCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is VJUJWVJUOLGJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-13(4-5-20-9)14(17)16-7-11-3-2-10(15(18)19)6-12(11)8-16/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).