(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate

C14H19NO3 — CID 103136986

IUPAC(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CCC(C)O1
InChIInChI=1S/C14H19NO3/c1-9-4-3-5-12(15)13(9)14(16)17-8-11-7-6-10(2)18-11/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyFSWYOIVFJUBGTC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds3

About (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate

(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate (PubChem CID 103136986) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
PubChem CID103136986
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCC1CCC(C)O1
InChIInChI=1S/C14H19NO3/c1-9-4-3-5-12(15)13(9)14(16)17-8-11-7-6-10(2)18-11/h3-5,10-11H,6-8,15H2,1-2H3
InChIKeyFSWYOIVFJUBGTC-UHFFFAOYSA-N
XLogP2.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
3-amino-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 107077325
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
(5-methyloxolan-2-yl)methyl 3-amino-4-ethoxybenzoate
CID 103136966
(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
CID 103137050
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
(5,5-dimethyloxolan-2-yl)methyl 2-amino-6-chlorobenzoate
CID 116523259

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate (CID 103136986) is (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate is Cc1cccc(N)c1C(=O)OCC1CCC(C)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate?
The InChIKey is FSWYOIVFJUBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-4-3-5-12(15)13(9)14(16)17-8-11-7-6-10(2)18-11/h3-5,10-11H,6-8,15H2,1-2H3.
What are the key properties of (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate?
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 103136986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).