3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid

C14H19NO5 — CID 103152460

IUPAC3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
SMILESCOC(CNC(=O)COc1ccc(C)cc1)CC(=O)O
InChIInChI=1S/C14H19NO5/c1-10-3-5-11(6-4-10)20-9-13(16)15-8-12(19-2)7-14(17)18/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBKEWBXDRZIAYCE-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.98
Rot. Bonds8

About 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid

3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid (PubChem CID 103152460) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
PubChem CID103152460
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
SMILESCOC(CNC(=O)COc1ccc(C)cc1)CC(=O)O
InChIInChI=1S/C14H19NO5/c1-10-3-5-11(6-4-10)20-9-13(16)15-8-12(19-2)7-14(17)18/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBKEWBXDRZIAYCE-UHFFFAOYSA-N
XLogP0.98
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid
CID 103153206
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103153136
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103152454
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 41318325
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065749

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid (CID 103152460) is 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid is COC(CNC(=O)COc1ccc(C)cc1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is BKEWBXDRZIAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10-3-5-11(6-4-10)20-9-13(16)15-8-12(19-2)7-14(17)18/h3-6,12H,7-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid?
3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 103152460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).