2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid

C12H15NO5 — CID 23422759

IUPAC2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCOc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO5/c14-11(15)8-13(9-12(16)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyBIJRTAIPWVCDHS-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.54
Rot. Bonds8

About 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid

2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid (PubChem CID 23422759) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid
PubChem CID23422759
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCOc1ccccc1)CC(=O)O
InChIInChI=1S/C12H15NO5/c14-11(15)8-13(9-12(16)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17)
InChIKeyBIJRTAIPWVCDHS-UHFFFAOYSA-N
XLogP0.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 26050
Diethyl(2-phenoxyethyl)amine
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4-[2-(2-Phenoxyethoxy)ethyl]morpholine
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1-(3-Phenoxypropyl)pyrrolidine oxalate
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2-(Octahydro-5,8,14,17-tetraoxa-11-aza-benzocyclopentadecen-11-YL)-ethanol
CID 3090860
N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine
CID 4265241
Trimethyl(2-Phenoxyethyl)Azanium
CID 9725
2-(Diethylamino)ethyl (4-fluorophenoxy)acetate--hydrogen chloride (1/1)
CID 9599
Ammonium, (2-phenoxyethyl)trimethyl-, iodide
CID 30890
N-(phenoxyacetyl)glycine
CID 300109
4-(3-Phenoxypropyl)morpholine
CID 2057437
4-{2-[2-(4-Ethoxyphenoxy)ethoxy]ethyl}morpholine oxalate
CID 2923074

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid (CID 23422759) is 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid is O=C(O)CN(CCOc1ccccc1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid?
The InChIKey is BIJRTAIPWVCDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-11(15)8-13(9-12(16)17)6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid?
2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-phenoxyethyl)amino]acetic acid is sourced from PubChem (CID 23422759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).