2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid

C14H19NO5 — CID 119255509

IUPAC2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
SMILESCOCCC(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-9-7-13(16)15-8-6-11-2-4-12(5-3-11)20-10-14(17)18/h2-5H,6-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNGLVTBSKJNXSRI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.85
Rot. Bonds9

About 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid

2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid (PubChem CID 119255509) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
PubChem CID119255509
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
SMILESCOCCC(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-19-9-7-13(16)15-8-6-11-2-4-12(5-3-11)20-10-14(17)18/h2-5H,6-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyNGLVTBSKJNXSRI-UHFFFAOYSA-N
XLogP0.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 120528979
2-[4-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]phenoxy]acetic acid
CID 119255389
2-[4-[2-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]ethyl]phenoxy]acetic acid
CID 120528991
2-[4-[2-[3-(5-chlorothiophen-2-yl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255845
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
2-[4-[2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255955
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid (CID 119255509) is 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid is COCCC(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid?
The InChIKey is NGLVTBSKJNXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-9-7-13(16)15-8-6-11-2-4-12(5-3-11)20-10-14(17)18/h2-5H,6-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid?
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).