(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate

C15H21NO3 — CID 116523255

IUPAC(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate
SMILESCC1(C)CCC(COC(=O)Cc2cccc(N)c2)O1
InChIInChI=1S/C15H21NO3/c1-15(2)7-6-13(19-15)10-18-14(17)9-11-4-3-5-12(16)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyPHZAWXSSMHNGBZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds4

About (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate

(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate (PubChem CID 116523255) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate
PubChem CID116523255
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate
SMILESCC1(C)CCC(COC(=O)Cc2cccc(N)c2)O1
InChIInChI=1S/C15H21NO3/c1-15(2)7-6-13(19-15)10-18-14(17)9-11-4-3-5-12(16)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3
InChIKeyPHZAWXSSMHNGBZ-UHFFFAOYSA-N
XLogP2.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate?
The IUPAC name of (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate (CID 116523255) is (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate?
The canonical SMILES for (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate is CC1(C)CCC(COC(=O)Cc2cccc(N)c2)O1.
What is the InChIKey of (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate?
The InChIKey is PHZAWXSSMHNGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)7-6-13(19-15)10-18-14(17)9-11-4-3-5-12(16)8-11/h3-5,8,13H,6-7,9-10,16H2,1-2H3.
What are the key properties of (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate?
(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 116523255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).