oxolan-2-ylmethyl 2-(2-aminophenyl)acetate

C13H17NO3 — CID 61308884

IUPACoxolan-2-ylmethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCC1CCCO1
InChIInChI=1S/C13H17NO3/c14-12-6-2-1-4-10(12)8-13(15)17-9-11-5-3-7-16-11/h1-2,4,6,11H,3,5,7-9,14H2
InChIKeyPZSOHRNBHZCWGJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds4

About oxolan-2-ylmethyl 2-(2-aminophenyl)acetate

oxolan-2-ylmethyl 2-(2-aminophenyl)acetate (PubChem CID 61308884) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(2-aminophenyl)acetate
PubChem CID61308884
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameoxolan-2-ylmethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCC1CCCO1
InChIInChI=1S/C13H17NO3/c14-12-6-2-1-4-10(12)8-13(15)17-9-11-5-3-7-16-11/h1-2,4,6,11H,3,5,7-9,14H2
InChIKeyPZSOHRNBHZCWGJ-UHFFFAOYSA-N
XLogP1.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
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

(4-propan-2-ylmorpholin-2-yl)methyl 2-(2-aminophenyl)acetate
CID 64532957
[(2R)-oxolan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
CID 129404823
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
2-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495315
oxolan-2-ylmethyl 2-(furan-2-ylmethyl)prop-2-enoate
CID 69398677

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(2-aminophenyl)acetate?
The IUPAC name of oxolan-2-ylmethyl 2-(2-aminophenyl)acetate (CID 61308884) is oxolan-2-ylmethyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(2-aminophenyl)acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(2-aminophenyl)acetate?
The InChIKey is PZSOHRNBHZCWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-12-6-2-1-4-10(12)8-13(15)17-9-11-5-3-7-16-11/h1-2,4,6,11H,3,5,7-9,14H2.
What are the key properties of oxolan-2-ylmethyl 2-(2-aminophenyl)acetate?
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate has a molecular weight of 235.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 61308884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).