tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate

C13H19NO4 — CID 58858064

IUPACtert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
SMILESCOc1cc(N)ccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(15)8-17-10-6-5-9(14)7-11(10)16-4/h5-7H,8,14H2,1-4H3
InChIKeyYNDIYYZDCMULSP-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.00
Rot. Bonds4

About tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate

tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate (PubChem CID 58858064) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
PubChem CID58858064
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
SMILESCOc1cc(N)ccc1OCC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO4/c1-13(2,3)18-12(15)8-17-10-6-5-9(14)7-11(10)16-4/h5-7H,8,14H2,1-4H3
InChIKeyYNDIYYZDCMULSP-UHFFFAOYSA-N
XLogP2.00
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 86750899
tert-butyl 2-(2-methoxy-4-nitrophenoxy)acetate
CID 58858118
tert-butyl 2-(5-formyl-2-methoxyphenoxy)acetate
CID 171130082
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
tert-butyl 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]acetate
CID 116686926
tert-butyl 2-[4-formyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenoxy]acetate
CID 19085805
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
tert-butyl 2-[3-(3,4-dimethoxyphenyl)phenoxy]acetate
CID 67720502
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
CID 107742324
2-(4-amino-2-methoxyphenoxy)-1-(azepan-1-yl)ethanone
CID 62110109
prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
CID 58423532

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate?
The IUPAC name of tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate (CID 58858064) is tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate.
What is the SMILES notation for tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate?
The canonical SMILES for tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate is COc1cc(N)ccc1OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate?
The InChIKey is YNDIYYZDCMULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-13(2,3)18-12(15)8-17-10-6-5-9(14)7-11(10)16-4/h5-7H,8,14H2,1-4H3.
What are the key properties of tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate?
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate has a molecular weight of 253.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate is sourced from PubChem (CID 58858064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).