4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid

C15H21NO4 — CID 43240334

IUPAC4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
SMILESCCc1cccc(OCC(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-3-12-6-4-7-13(10-12)20-11-14(17)16(2)9-5-8-15(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGJNXYHOKKSXKGJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds8

About 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid

4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid (PubChem CID 43240334) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
PubChem CID43240334
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid
SMILESCCc1cccc(OCC(=O)N(C)CCCC(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-3-12-6-4-7-13(10-12)20-11-14(17)16(2)9-5-8-15(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGJNXYHOKKSXKGJ-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
2-[[2-(3-ethylphenoxy)acetyl]-methylamino]acetic acid
CID 43092155
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
2-(3-ethylphenoxy)-N-methylacetohydrazide
CID 116820496
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
2-[[3-(3-ethylphenoxy)propyl-methylcarbamoyl]amino]acetic acid
CID 121498185
N-ethyl-2-(3-ethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 60653414
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid (CID 43240334) is 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid is CCc1cccc(OCC(=O)N(C)CCCC(=O)O)c1.
What is the InChIKey of 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid?
The InChIKey is GJNXYHOKKSXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-12-6-4-7-13(10-12)20-11-14(17)16(2)9-5-8-15(18)19/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid?
4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethylphenoxy)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43240334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).