2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid

C13H17NO5 — CID 54898573

IUPAC2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)COc1ccccc1O
InChIInChI=1S/C13H17NO5/c1-2-7-14(8-13(17)18)12(16)9-19-11-6-4-3-5-10(11)15/h3-6,15H,2,7-9H2,1H3,(H,17,18)
InChIKeyDDDOJYHBTJWNBY-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.09
Rot. Bonds7

About 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid

2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid (PubChem CID 54898573) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
PubChem CID54898573
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)COc1ccccc1O
InChIInChI=1S/C13H17NO5/c1-2-7-14(8-13(17)18)12(16)9-19-11-6-4-3-5-10(11)15/h3-6,15H,2,7-9H2,1H3,(H,17,18)
InChIKeyDDDOJYHBTJWNBY-UHFFFAOYSA-N
XLogP1.09
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-bromophenoxy)acetyl]-propylamino]acetic acid
CID 120519580
2-[propyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetic acid
CID 61013284
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-(2-acetylphenoxy)-N,N-dipropylacetamide
CID 82312013
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
N-(2-hydroxyethyl)-2-(2-methoxyphenoxy)-N-propylacetamide
CID 60655941
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
CID 131854846
CID 131854846
2-[[4-(2-methoxyphenyl)-3-methylbutanoyl]-propylamino]acetic acid
CID 119204807
3-[carboxymethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325257
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid (CID 54898573) is 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)COc1ccccc1O.
What is the InChIKey of 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid?
The InChIKey is DDDOJYHBTJWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-2-7-14(8-13(17)18)12(16)9-19-11-6-4-3-5-10(11)15/h3-6,15H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid?
2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 54898573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).