benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate

C17H17NO4 — CID 67246007

IUPACbenzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
SMILESNCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c18-10-16(19)14-6-8-15(9-7-14)21-12-17(20)22-11-13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyDTVWEIYCLUJDGJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds7

About benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate

benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate (PubChem CID 67246007) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate.

Molecular Properties

Compound Namebenzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
PubChem CID67246007
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namebenzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
SMILESNCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c18-10-16(19)14-6-8-15(9-7-14)21-12-17(20)22-11-13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyDTVWEIYCLUJDGJ-UHFFFAOYSA-N
XLogP1.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
benzyl 2-aminoacetate
CID 122130027
ethyl 2-[4-[3-(2-phenylmethoxyethylamino)propanoyl]phenoxy]acetate
CID 110176875
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
benzyl 2-aminoacetate;hydrochloride
CID 11701227
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
benzyl 4-[2-(4-ethylphenoxy)acetyl]oxybenzoate
CID 19179629

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate?
The IUPAC name of benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate (CID 67246007) is benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate.
What is the SMILES notation for benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate?
The canonical SMILES for benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate is NCC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate?
The InChIKey is DTVWEIYCLUJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c18-10-16(19)14-6-8-15(9-7-14)21-12-17(20)22-11-13-4-2-1-3-5-13/h1-9H,10-12,18H2.
What are the key properties of benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate?
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate has a molecular weight of 299.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate is sourced from PubChem (CID 67246007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).