ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate

C13H17NO5 — CID 10611863

IUPACethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(N)c(C2OCCO2)c1
InChIInChI=1S/C13H17NO5/c1-2-16-12(15)8-19-9-3-4-11(14)10(7-9)13-17-5-6-18-13/h3-4,7,13H,2,5-6,8,14H2,1H3
InChIKeyUNKKVVGTRJNBKG-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.26
Rot. Bonds5

About ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate

ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate (PubChem CID 10611863) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
PubChem CID10611863
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(N)c(C2OCCO2)c1
InChIInChI=1S/C13H17NO5/c1-2-16-12(15)8-19-9-3-4-11(14)10(7-9)13-17-5-6-18-13/h3-4,7,13H,2,5-6,8,14H2,1H3
InChIKeyUNKKVVGTRJNBKG-UHFFFAOYSA-N
XLogP1.26
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136
ethane;ethyl 2-[4-amino-3-(oxan-4-ylamino)phenoxy]acetate;molecular hydrogen;hydrate
CID 144774801
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
ethyl 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetate
CID 2728596
ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate (CID 10611863) is ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate is CCOC(=O)COc1ccc(N)c(C2OCCO2)c1.
What is the InChIKey of ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate?
The InChIKey is UNKKVVGTRJNBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-2-16-12(15)8-19-9-3-4-11(14)10(7-9)13-17-5-6-18-13/h3-4,7,13H,2,5-6,8,14H2,1H3.
What are the key properties of ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate?
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate has a molecular weight of 267.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate is sourced from PubChem (CID 10611863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).