(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate

C14H19NO3 — CID 103136975

IUPAC(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
SMILESCC1CCC(COC(=O)Cc2ccc(N)cc2)O1
InChIInChI=1S/C14H19NO3/c1-10-2-7-13(18-10)9-17-14(16)8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3
InChIKeyUVZVIQIMNFZFAW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds4

About (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate

(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate (PubChem CID 103136975) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
PubChem CID103136975
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
SMILESCC1CCC(COC(=O)Cc2ccc(N)cc2)O1
InChIInChI=1S/C14H19NO3/c1-10-2-7-13(18-10)9-17-14(16)8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3
InChIKeyUVZVIQIMNFZFAW-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
CID 103137050
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
(5-methyloxolan-2-yl)methyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 103137014
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
(5-methyloxolan-2-yl)methyl 2-amino-6-methylbenzoate
CID 103136986
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132582
(5-methyloxolan-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 103137013
(2-methylcyclohexyl) 2-(4-aminophenyl)acetate
CID 61277634
oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate (CID 103136975) is (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate is CC1CCC(COC(=O)Cc2ccc(N)cc2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate?
The InChIKey is UVZVIQIMNFZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-2-7-13(18-10)9-17-14(16)8-11-3-5-12(15)6-4-11/h3-6,10,13H,2,7-9,15H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate?
(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate has a molecular weight of 249.31 g/mol, XLogP of 1.92, 4 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-(4-aminophenyl)acetate is sourced from PubChem (CID 103136975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).