2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid

C14H19NO4 — CID 94694724

IUPAC2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1CCC(C)(C)NC(=O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,15-12(16)13(17)18)9-8-10-6-4-5-7-11(10)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMLMDZMUZJFWGCM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid

2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid (PubChem CID 94694724) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
PubChem CID94694724
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccccc1CCC(C)(C)NC(=O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-14(2,15-12(16)13(17)18)9-8-10-6-4-5-7-11(10)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMLMDZMUZJFWGCM-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 15437580
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2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
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2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
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5-(2-methoxyphenyl)pentanoic acid
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CID 7732837

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid (CID 94694724) is 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid is COc1ccccc1CCC(C)(C)NC(=O)C(=O)O.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid?
The InChIKey is MLMDZMUZJFWGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,15-12(16)13(17)18)9-8-10-6-4-5-7-11(10)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid?
2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 94694724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).