4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid

C14H19NO5 — CID 114900217

IUPAC4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid
SMILESCNC(=O)C(C)(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(13(17)18,12(16)15-2)8-9-20-11-7-5-4-6-10(11)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYZLFVLIJUJOCMA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds7

About 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid

4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid (PubChem CID 114900217) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid
PubChem CID114900217
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid
SMILESCNC(=O)C(C)(CCOc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(13(17)18,12(16)15-2)8-9-20-11-7-5-4-6-10(11)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYZLFVLIJUJOCMA-UHFFFAOYSA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900026
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150609
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
4-(2-methoxyphenoxy)-2-methyl-2-phenylbutan-1-amine
CID 82138274
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid?
The IUPAC name of 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid (CID 114900217) is 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid.
What is the SMILES notation for 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid?
The canonical SMILES for 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid is CNC(=O)C(C)(CCOc1ccccc1OC)C(=O)O.
What is the InChIKey of 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid?
The InChIKey is YZLFVLIJUJOCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(13(17)18,12(16)15-2)8-9-20-11-7-5-4-6-10(11)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid?
4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-2-methyl-2-(methylcarbamoyl)butanoic acid is sourced from PubChem (CID 114900217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).