4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid

C15H17NO5 — CID 115291715

IUPAC4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H17NO5/c17-13(11-1-2-12-10(9-11)3-6-21-12)16-15(14(18)19)4-7-20-8-5-15/h1-2,9H,3-8H2,(H,16,17)(H,18,19)
InChIKeyPMXZRSKYDBUSNA-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.99
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid

4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid (PubChem CID 115291715) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
PubChem CID115291715
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H17NO5/c17-13(11-1-2-12-10(9-11)3-6-21-12)16-15(14(18)19)4-7-20-8-5-15/h1-2,9H,3-8H2,(H,16,17)(H,18,19)
InChIKeyPMXZRSKYDBUSNA-UHFFFAOYSA-N
XLogP0.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 138024810
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
4-[(4-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280104
1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65312218
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid (CID 115291715) is 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid?
The InChIKey is PMXZRSKYDBUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c17-13(11-1-2-12-10(9-11)3-6-21-12)16-15(14(18)19)4-7-20-8-5-15/h1-2,9H,3-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid?
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115291715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).