3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid

C13H16N2O4 — CID 65350121

IUPAC3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESNc1cccc(CC(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H16N2O4/c14-10-3-1-2-9(6-10)7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8,14H2,(H,15,16)(H,17,18)
InChIKeyLVCIJRBJFUAXIV-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.17
Rot. Bonds4

About 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 65350121) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID65350121
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESNc1cccc(CC(=O)NC2(C(=O)O)CCOC2)c1
InChIInChI=1S/C13H16N2O4/c14-10-3-1-2-9(6-10)7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8,14H2,(H,15,16)(H,17,18)
InChIKeyLVCIJRBJFUAXIV-UHFFFAOYSA-N
XLogP0.17
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-bromophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291429
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786
3-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888789
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64889000
3-[3-(4-aminophenyl)butanoylamino]oxolane-3-carboxylic acid
CID 104502718
3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 64887873
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688788
3-[[2-(1H-indol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64890196
4-[[2-(3-aminophenyl)acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66249930
3-[(2-benzo[e][1]benzofuran-2-ylacetyl)amino]oxolane-3-carboxylic acid
CID 120532801
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 65350121) is 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid is Nc1cccc(CC(=O)NC2(C(=O)O)CCOC2)c1.
What is the InChIKey of 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LVCIJRBJFUAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-10-3-1-2-9(6-10)7-11(16)15-13(12(17)18)4-5-19-8-13/h1-3,6H,4-5,7-8,14H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminophenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 65350121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).