2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid

C15H19NO5 — CID 60826404

IUPAC2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
SMILESCCOc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-7-13(8-6-12)21-10-14(17)16(9-15(18)19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyQJWWGTITXSQYJJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.54
Rot. Bonds8

About 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 60826404) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
PubChem CID60826404
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
SMILESCCOc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO5/c1-2-20-12-5-7-13(8-6-12)21-10-14(17)16(9-15(18)19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyQJWWGTITXSQYJJ-UHFFFAOYSA-N
XLogP1.54
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825080
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
CID 119194754
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
CID 61410360
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
CID 60718266
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid (CID 60826404) is 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid is CCOc1ccc(OCC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is QJWWGTITXSQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-20-12-5-7-13(8-6-12)21-10-14(17)16(9-15(18)19)11-3-4-11/h5-8,11H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 60826404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).