4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid

C15H21NO5 — CID 103152454

IUPAC4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
SMILESCCc1cccc(OCC(=O)NCC(CC(=O)O)OC)c1
InChIInChI=1S/C15H21NO5/c1-3-11-5-4-6-12(7-11)21-10-14(17)16-9-13(20-2)8-15(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYDWSONRBTXMDI-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.23
Rot. Bonds9

About 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid

4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid (PubChem CID 103152454) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
PubChem CID103152454
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
SMILESCCc1cccc(OCC(=O)NCC(CC(=O)O)OC)c1
InChIInChI=1S/C15H21NO5/c1-3-11-5-4-6-12(7-11)21-10-14(17)16-9-13(20-2)8-15(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCYDWSONRBTXMDI-UHFFFAOYSA-N
XLogP1.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 103152460
N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
CID 95144014
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
3-[[2-(3-ethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427019
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
(2S,3R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964462
(2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61138039
2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238757
(2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975786
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid (CID 103152454) is 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid is CCc1cccc(OCC(=O)NCC(CC(=O)O)OC)c1.
What is the InChIKey of 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid?
The InChIKey is CYDWSONRBTXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-11-5-4-6-12(7-11)21-10-14(17)16-9-13(20-2)8-15(18)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid?
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103152454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).