2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid

C14H20N2O4 — CID 63771678

IUPAC2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
SMILESCCNCC(C)C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-3-15-8-10(2)14(19)16-11-5-4-6-12(7-11)20-9-13(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDFDKDMCTYAXAIU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.33
Rot. Bonds8

About 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid

2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid (PubChem CID 63771678) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
PubChem CID63771678
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
SMILESCCNCC(C)C(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C14H20N2O4/c1-3-15-8-10(2)14(19)16-11-5-4-6-12(7-11)20-9-13(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDFDKDMCTYAXAIU-UHFFFAOYSA-N
XLogP1.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
2-[3-(butan-2-ylcarbamoylamino)phenoxy]acetic acid
CID 61188461
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
CID 60750976
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
2-[3-[[propan-2-yl(propyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194737
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
2-[3-[[2-(4-methylpentanoylamino)acetyl]amino]phenoxy]acetic acid
CID 119224874

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid (CID 63771678) is 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid is CCNCC(C)C(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid?
The InChIKey is DFDKDMCTYAXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-15-8-10(2)14(19)16-11-5-4-6-12(7-11)20-9-13(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid?
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63771678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).