2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid

C14H19NO5 — CID 119224688

IUPAC2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
SMILESCOCCCCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-19-8-3-2-7-13(16)15-11-5-4-6-12(9-11)20-10-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18)
InChIKeySWNCOZVYMQCTIC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds9

About 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid

2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid (PubChem CID 119224688) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
PubChem CID119224688
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
SMILESCOCCCCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H19NO5/c1-19-8-3-2-7-13(16)15-11-5-4-6-12(9-11)20-10-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18)
InChIKeySWNCOZVYMQCTIC-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
CID 119224874
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid (CID 119224688) is 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid is COCCCCC(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid?
The InChIKey is SWNCOZVYMQCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-8-3-2-7-13(16)15-11-5-4-6-12(9-11)20-10-14(17)18/h4-6,9H,2-3,7-8,10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid?
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 119224688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).