3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid

C14H16N2O5 — CID 64892065

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COc2ccccc21)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H16N2O5/c17-12(18)14(5-6-20-8-14)16-13(19)15-10-7-21-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,17,18)(H2,15,16,19)
InChIKeyVFZRERURPCENBM-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.66
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid

3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 64892065) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID64892065
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COc2ccccc21)NC1(C(=O)O)CCOC1
InChIInChI=1S/C14H16N2O5/c17-12(18)14(5-6-20-8-14)16-13(19)15-10-7-21-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,17,18)(H2,15,16,19)
InChIKeyVFZRERURPCENBM-UHFFFAOYSA-N
XLogP0.66
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromene-4-carbonylamino)oxolane-3-carboxylic acid
CID 64889234
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66407808
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
CID 71882103
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64892260
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
3-[[benzyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64889091
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010010
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 80572841
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 97331934

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 64892065) is 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NC1COc2ccccc21)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is VFZRERURPCENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(18)14(5-6-20-8-14)16-13(19)15-10-7-21-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 64892065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).