(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate

C11H13NO4 — CID 174817880

IUPAC(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H13NO4/c1-7(12)11(13)16-10-5-8(14-2)4-9(6-10)15-3/h4-6H,1,12H2,2-3H3
InChIKeyGMZLYJQQLHPAJY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.08
Rot. Bonds4

About (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate

(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate (PubChem CID 174817880) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate
PubChem CID174817880
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate
SMILESC=C(N)C(=O)Oc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H13NO4/c1-7(12)11(13)16-10-5-8(14-2)4-9(6-10)15-3/h4-6H,1,12H2,2-3H3
InChIKeyGMZLYJQQLHPAJY-UHFFFAOYSA-N
XLogP1.08
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethoxybenzene;urea
CID 174919725
(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate
CID 15162806
phosphane;1,3,5-trimethoxybenzene
CID 175232895
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(3,5-dimethoxyphenyl) dimethylaminosulfanylformate
CID 21435210
(3-methoxy-5-methylphenyl) 3,5-dimethoxybenzoate
CID 596736
[6-(2-aminoprop-2-enoylamino)naphthalen-2-yl] 2-aminoprop-2-enoate
CID 118374262
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
(2-acetyl-3,5-dimethoxyphenyl) 2-methylprop-2-enoate
CID 86087560
2-[3-(2-methylprop-2-enoyloxy)-5-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 135209308
(3,5-dimethoxyphenyl)sulfanylurea
CID 174699067
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate?
The IUPAC name of (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate (CID 174817880) is (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate?
The canonical SMILES for (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate is C=C(N)C(=O)Oc1cc(OC)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate?
The InChIKey is GMZLYJQQLHPAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(12)11(13)16-10-5-8(14-2)4-9(6-10)15-3/h4-6H,1,12H2,2-3H3.
What are the key properties of (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate?
(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 2-aminoprop-2-enoate is sourced from PubChem (CID 174817880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).