2-(2,3-diaminophenoxy)ethyl prop-2-enoate

C11H14N2O3 — CID 141212699

IUPAC2-(2,3-diaminophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(N)c1N
InChIInChI=1S/C11H14N2O3/c1-2-10(14)16-7-6-15-9-5-3-4-8(12)11(9)13/h2-5H,1,6-7,12-13H2
InChIKeyAOEJBCQDTGBXIF-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.96
Rot. Bonds5

About 2-(2,3-diaminophenoxy)ethyl prop-2-enoate

2-(2,3-diaminophenoxy)ethyl prop-2-enoate (PubChem CID 141212699) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2,3-diaminophenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,3-diaminophenoxy)ethyl prop-2-enoate
PubChem CID141212699
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2,3-diaminophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(N)c1N
InChIInChI=1S/C11H14N2O3/c1-2-10(14)16-7-6-15-9-5-3-4-8(12)11(9)13/h2-5H,1,6-7,12-13H2
InChIKeyAOEJBCQDTGBXIF-UHFFFAOYSA-N
XLogP0.96
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-(2-nitrophenoxy)ethyl prop-2-enoate
CID 102248252
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
3-(2,3-dimethylphenoxy)propyl prop-2-enoate
CID 151952529
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
[4-(2,3-diaminophenoxy)cyclohexyl] prop-2-enoate
CID 141212660
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
4-(2,5-diaminophenoxy)butyl prop-2-enoate
CID 142701186

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diaminophenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2,3-diaminophenoxy)ethyl prop-2-enoate (CID 141212699) is 2-(2,3-diaminophenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,3-diaminophenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,3-diaminophenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1cccc(N)c1N.
What is the InChIKey of 2-(2,3-diaminophenoxy)ethyl prop-2-enoate?
The InChIKey is AOEJBCQDTGBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-10(14)16-7-6-15-9-5-3-4-8(12)11(9)13/h2-5H,1,6-7,12-13H2.
What are the key properties of 2-(2,3-diaminophenoxy)ethyl prop-2-enoate?
2-(2,3-diaminophenoxy)ethyl prop-2-enoate has a molecular weight of 222.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diaminophenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 141212699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).