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

C12H13NO6 — CID 63651467

IUPAC2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)COc1ccccc1
InChIInChI=1S/C12H13NO6/c14-10(8-19-9-4-2-1-3-5-9)13(6-11(15)16)7-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18)
InChIKeyONSYOSJIVMYCPP-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.06
Rot. Bonds7

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

2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid (PubChem CID 63651467) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
PubChem CID63651467
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)COc1ccccc1
InChIInChI=1S/C12H13NO6/c14-10(8-19-9-4-2-1-3-5-9)13(6-11(15)16)7-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18)
InChIKeyONSYOSJIVMYCPP-UHFFFAOYSA-N
XLogP0.06
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[carboxymethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325257
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325255
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
2-[ethyl-[2-(4-methoxyphenoxy)acetyl]amino]acetic acid
CID 54900881
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
2-phenoxyacetic acid;titanium
CID 174896747
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
naphthalene;2-phenoxyacetic acid
CID 175275275
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid (CID 63651467) is 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)COc1ccccc1.
What is the InChIKey of 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid?
The InChIKey is ONSYOSJIVMYCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c14-10(8-19-9-4-2-1-3-5-9)13(6-11(15)16)7-12(17)18/h1-5H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid?
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid is sourced from PubChem (CID 63651467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).