prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate

C14H19NO5 — CID 58423532

IUPACprop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(O)COc1ccc(N)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-7-19-13(16)14(2,17)9-20-11-6-5-10(15)8-12(11)18-3/h4-6,8,17H,1,7,9,15H2,2-3H3
InChIKeyIBFVFVMJHQLRMZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds7

About prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate

prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate (PubChem CID 58423532) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
PubChem CID58423532
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameprop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(O)COc1ccc(N)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-7-19-13(16)14(2,17)9-20-11-6-5-10(15)8-12(11)18-3/h4-6,8,17H,1,7,9,15H2,2-3H3
InChIKeyIBFVFVMJHQLRMZ-UHFFFAOYSA-N
XLogP1.14
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
tert-butyl 2-(4-amino-2-methoxyphenoxy)acetate
CID 58858064
3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)aniline
CID 58980833
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyaniline
CID 106436606
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
2-(4-amino-2-methoxyphenoxy)-N-(cyanomethyl)acetamide
CID 62109940
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-4-methylpentanoic acid
CID 119203920
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate?
The IUPAC name of prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate (CID 58423532) is prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate is C=CCOC(=O)C(C)(O)COc1ccc(N)cc1OC.
What is the InChIKey of prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate?
The InChIKey is IBFVFVMJHQLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-7-19-13(16)14(2,17)9-20-11-6-5-10(15)8-12(11)18-3/h4-6,8,17H,1,7,9,15H2,2-3H3.
What are the key properties of prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate?
prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate has a molecular weight of 281.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(4-amino-2-methoxyphenoxy)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 58423532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).