3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid

C13H17NO5 — CID 82325255

IUPAC3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)COc1ccccc1
InChIInChI=1S/C13H17NO5/c15-9-8-14(7-6-13(17)18)12(16)10-19-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,17,18)
InChIKeyUIBPCEQBHZWEKT-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.36
Rot. Bonds8

About 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid

3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid (PubChem CID 82325255) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
PubChem CID82325255
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)C(=O)COc1ccccc1
InChIInChI=1S/C13H17NO5/c15-9-8-14(7-6-13(17)18)12(16)10-19-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,17,18)
InChIKeyUIBPCEQBHZWEKT-UHFFFAOYSA-N
XLogP0.36
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[carboxymethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325257
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid (CID 82325255) is 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid is O=C(O)CCN(CCO)C(=O)COc1ccccc1.
What is the InChIKey of 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid?
The InChIKey is UIBPCEQBHZWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-9-8-14(7-6-13(17)18)12(16)10-19-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,17,18).
What are the key properties of 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid?
3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 82325255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).