2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate

C14H19NO3 — CID 65166146

IUPAC2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OCCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-10-4-5-11(15)9-13(10)14(16)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyZQKNSZCDUVMAFO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds4

About 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate

2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate (PubChem CID 65166146) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
PubChem CID65166146
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OCCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-10-4-5-11(15)9-13(10)14(16)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,15H2,1H3
InChIKeyZQKNSZCDUVMAFO-UHFFFAOYSA-N
XLogP2.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.30
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

2-(oxolan-2-yl)ethyl 4-amino-2-methylbenzoate
CID 65166044
3-(oxolan-2-yl)propyl 5-amino-2-chlorobenzoate
CID 65166403
2-(oxolan-2-yl)ethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873699
2-(oxolan-2-yl)ethyl 5-amino-1-benzothiophene-2-carboxylate
CID 65166037
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
2-(oxolan-2-yl)ethyl 3-amino-4-ethoxybenzoate
CID 65166568
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
oxolan-2-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61310245

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate?
The IUPAC name of 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate (CID 65166146) is 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate.
What is the SMILES notation for 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate?
The canonical SMILES for 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate is Cc1ccc(N)cc1C(=O)OCCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate?
The InChIKey is ZQKNSZCDUVMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-5-11(15)9-13(10)14(16)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,15H2,1H3.
What are the key properties of 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate?
2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate is sourced from PubChem (CID 65166146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).