3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate

C15H21NO4 — CID 65166038

IUPAC3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCCCC1CCCO1
InChIInChI=1S/C15H21NO4/c16-13-7-1-2-8-14(13)20-11-15(17)19-10-4-6-12-5-3-9-18-12/h1-2,7-8,12H,3-6,9-11,16H2
InChIKeyPKEDZRNGCQTCQK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds7

About 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate

3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate (PubChem CID 65166038) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate.

Molecular Properties

Compound Name3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate
PubChem CID65166038
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate
SMILESNc1ccccc1OCC(=O)OCCCC1CCCO1
InChIInChI=1S/C15H21NO4/c16-13-7-1-2-8-14(13)20-11-15(17)19-10-4-6-12-5-3-9-18-12/h1-2,7-8,12H,3-6,9-11,16H2
InChIKeyPKEDZRNGCQTCQK-UHFFFAOYSA-N
XLogP2.15
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924
2-[2-(oxolan-2-ylmethylsulfinyl)ethoxy]aniline
CID 106495271
1-(2-aminophenyl)-4-(oxolan-2-yl)butan-1-one
CID 65166956
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
cyclohexylmethyl 2-(2-aminophenoxy)acetate
CID 61321591
(4-methylmorpholin-2-yl)methyl 2-(2-aminophenoxy)acetate
CID 79183171
2-[(2R)-oxolan-2-yl]ethyl 2-(furan-2-yl)acetate
CID 97078806
3-[(2S)-oxolan-2-yl]propyl thiophene-2-carboxylate
CID 99822015
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
3-[(2R)-oxolan-2-yl]propyl nonanoate
CID 98549345

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate?
The IUPAC name of 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate (CID 65166038) is 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate.
What is the SMILES notation for 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate?
The canonical SMILES for 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate is Nc1ccccc1OCC(=O)OCCCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate?
The InChIKey is PKEDZRNGCQTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c16-13-7-1-2-8-14(13)20-11-15(17)19-10-4-6-12-5-3-9-18-12/h1-2,7-8,12H,3-6,9-11,16H2.
What are the key properties of 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate?
3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate has a molecular weight of 279.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)propyl 2-(2-aminophenoxy)acetate is sourced from PubChem (CID 65166038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).