2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid

C13H17NO4 — CID 9157069

IUPAC2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCC(C)c1ccc(OCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9(2)10-3-5-11(6-4-10)18-8-12(15)14-7-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKIJGGMBEWZZZMR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.39
Rot. Bonds6

About 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid

2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid (PubChem CID 9157069) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
PubChem CID9157069
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCC(C)c1ccc(OCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-9(2)10-3-5-11(6-4-10)18-8-12(15)14-7-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKIJGGMBEWZZZMR-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108541576
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid (CID 9157069) is 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid is CC(C)c1ccc(OCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The InChIKey is KIJGGMBEWZZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(2)10-3-5-11(6-4-10)18-8-12(15)14-7-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 9157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).