2-[3-(2-aminoacetyl)phenoxy]acetic acid

C10H11NO4 — CID 70628823

IUPAC2-[3-(2-aminoacetyl)phenoxy]acetic acid
SMILESNCC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C10H11NO4/c11-5-9(12)7-2-1-3-8(4-7)15-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)
InChIKeyLXGOXTGLLDZSSD-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.29
Rot. Bonds5

About 2-[3-(2-aminoacetyl)phenoxy]acetic acid

2-[3-(2-aminoacetyl)phenoxy]acetic acid (PubChem CID 70628823) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[3-(2-aminoacetyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoacetyl)phenoxy]acetic acid
PubChem CID70628823
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[3-(2-aminoacetyl)phenoxy]acetic acid
SMILESNCC(=O)c1cccc(OCC(=O)O)c1
InChIInChI=1S/C10H11NO4/c11-5-9(12)7-2-1-3-8(4-7)15-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)
InChIKeyLXGOXTGLLDZSSD-UHFFFAOYSA-N
XLogP0.29
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 71464250
2-[4-(2-aminoacetyl)phenoxy]acetic acid
CID 14536945
2-amino-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 83820236
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-(3-chlorosulfanylphenoxy)acetic acid
CID 19384692
2-[3-(carboxymethylsulfanyl)phenoxy]acetic acid
CID 86229245
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-phenoxyacetic acid;titanium
CID 174896747
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-(3-stibonophenoxy)acetic acid
CID 70690511

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoacetyl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-aminoacetyl)phenoxy]acetic acid (CID 70628823) is 2-[3-(2-aminoacetyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoacetyl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-aminoacetyl)phenoxy]acetic acid is NCC(=O)c1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-aminoacetyl)phenoxy]acetic acid?
The InChIKey is LXGOXTGLLDZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-5-9(12)7-2-1-3-8(4-7)15-6-10(13)14/h1-4H,5-6,11H2,(H,13,14).
What are the key properties of 2-[3-(2-aminoacetyl)phenoxy]acetic acid?
2-[3-(2-aminoacetyl)phenoxy]acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoacetyl)phenoxy]acetic acid is sourced from PubChem (CID 70628823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).