oxolan-3-yl 4-aminobenzoate

C11H13NO3 — CID 63558656

IUPACoxolan-3-yl 4-aminobenzoate
SMILESNc1ccc(C(=O)OC2CCOC2)cc1
InChIInChI=1S/C11H13NO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7,12H2
InChIKeyHPGGOOOQKZUSJM-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.21
Rot. Bonds2

About oxolan-3-yl 4-aminobenzoate

oxolan-3-yl 4-aminobenzoate (PubChem CID 63558656) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is oxolan-3-yl 4-aminobenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-aminobenzoate
PubChem CID63558656
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameoxolan-3-yl 4-aminobenzoate
SMILESNc1ccc(C(=O)OC2CCOC2)cc1
InChIInChI=1S/C11H13NO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7,12H2
InChIKeyHPGGOOOQKZUSJM-UHFFFAOYSA-N
XLogP1.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 4-fluorobenzoate
CID 63663417
oxolan-3-yl 6-aminopyridine-3-carboxylate
CID 63557463
oxolan-3-yl 5-aminopyridine-2-carboxylate
CID 81316831
oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
[(3S)-oxolan-3-yl] 4-(1,2,4-triazol-4-yl)benzoate
CID 86819658
oxolan-3-yl 4-(2-hydroxyethylamino)benzoate
CID 55212550
oxolan-3-yl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342528
(3R)-oxolan-3-ol;[(3R)-oxolan-3-yl] 4-nitrobenzoate
CID 160721887
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
CID 130684136
oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
CID 130428223
(3,4-dimethylcyclohexyl) 4-aminobenzoate
CID 64746890

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-aminobenzoate?
The IUPAC name of oxolan-3-yl 4-aminobenzoate (CID 63558656) is oxolan-3-yl 4-aminobenzoate.
What is the SMILES notation for oxolan-3-yl 4-aminobenzoate?
The canonical SMILES for oxolan-3-yl 4-aminobenzoate is Nc1ccc(C(=O)OC2CCOC2)cc1.
What is the InChIKey of oxolan-3-yl 4-aminobenzoate?
The InChIKey is HPGGOOOQKZUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7,12H2.
What are the key properties of oxolan-3-yl 4-aminobenzoate?
oxolan-3-yl 4-aminobenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-aminobenzoate is sourced from PubChem (CID 63558656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).