prop-2-enyl 2-amino-4,5-dimethoxybenzoate

C12H15NO4 — CID 19432548

IUPACprop-2-enyl 2-amino-4,5-dimethoxybenzoate
SMILESC=CCOC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H15NO4/c1-4-5-17-12(14)8-6-10(15-2)11(16-3)7-9(8)13/h4,6-7H,1,5,13H2,2-3H3
InChIKeyGSBMFBPUGNWNKM-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.63
Rot. Bonds5

About prop-2-enyl 2-amino-4,5-dimethoxybenzoate

prop-2-enyl 2-amino-4,5-dimethoxybenzoate (PubChem CID 19432548) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is prop-2-enyl 2-amino-4,5-dimethoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-amino-4,5-dimethoxybenzoate
PubChem CID19432548
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameprop-2-enyl 2-amino-4,5-dimethoxybenzoate
SMILESC=CCOC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C12H15NO4/c1-4-5-17-12(14)8-6-10(15-2)11(16-3)7-9(8)13/h4,6-7H,1,5,13H2,2-3H3
InChIKeyGSBMFBPUGNWNKM-UHFFFAOYSA-N
XLogP1.63
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
[4-(methylamino)-4-oxobutyl] 2-amino-4,5-dimethoxybenzoate
CID 63890602
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
CID 53231025
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
nitro 2-amino-4,5-dimethoxybenzoate
CID 174871974
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
ethyl 2-amino-4-(3-chloropropoxy)-5-methoxybenzoate
CID 23033019

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-amino-4,5-dimethoxybenzoate?
The IUPAC name of prop-2-enyl 2-amino-4,5-dimethoxybenzoate (CID 19432548) is prop-2-enyl 2-amino-4,5-dimethoxybenzoate.
What is the SMILES notation for prop-2-enyl 2-amino-4,5-dimethoxybenzoate?
The canonical SMILES for prop-2-enyl 2-amino-4,5-dimethoxybenzoate is C=CCOC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of prop-2-enyl 2-amino-4,5-dimethoxybenzoate?
The InChIKey is GSBMFBPUGNWNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-5-17-12(14)8-6-10(15-2)11(16-3)7-9(8)13/h4,6-7H,1,5,13H2,2-3H3.
What are the key properties of prop-2-enyl 2-amino-4,5-dimethoxybenzoate?
prop-2-enyl 2-amino-4,5-dimethoxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-amino-4,5-dimethoxybenzoate is sourced from PubChem (CID 19432548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).