4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid

C15H19NO4 — CID 79229653

IUPAC4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1COc2ccccc21)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-16(13-9-19-8-12(13)15(17)18)6-10-7-20-14-5-3-2-4-11(10)14/h2-5,10,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyDYARBZSFAXKSON-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.19
Rot. Bonds4

About 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid

4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid (PubChem CID 79229653) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
PubChem CID79229653
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
SMILESCN(CC1COc2ccccc21)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO4/c1-16(13-9-19-8-12(13)15(17)18)6-10-7-20-14-5-3-2-4-11(10)14/h2-5,10,12-13H,6-9H2,1H3,(H,17,18)
InChIKeyDYARBZSFAXKSON-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 104768941
4-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]oxolane-3-carboxylic acid
CID 104524841
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[(2,2-difluoro-2-phenylethyl)-methylamino]oxolane-3-carboxylic acid
CID 116789972
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
1-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]propan-2-ol
CID 79229669
2-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
CID 113476276
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
CID 107530385

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid (CID 79229653) is 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid is CN(CC1COc2ccccc21)C1COCC1C(=O)O.
What is the InChIKey of 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DYARBZSFAXKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(13-9-19-8-12(13)15(17)18)6-10-7-20-14-5-3-2-4-11(10)14/h2-5,10,12-13H,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid?
4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79229653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).