2-oxo-2-(4-propan-2-yloxyanilino)acetic acid

C11H13NO4 — CID 28710622

IUPAC2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
SMILESCC(C)Oc1ccc(NC(=O)C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-7(2)16-9-5-3-8(4-6-9)12-10(13)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyCNCZPYPCJFNLMG-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.50
Rot. Bonds3

About 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid

2-oxo-2-(4-propan-2-yloxyanilino)acetic acid (PubChem CID 28710622) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
PubChem CID28710622
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
SMILESCC(C)Oc1ccc(NC(=O)C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-7(2)16-9-5-3-8(4-6-9)12-10(13)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)
InChIKeyCNCZPYPCJFNLMG-UHFFFAOYSA-N
XLogP1.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.50
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

ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-[4-(2-methylpropoxy)anilino]-2-oxoacetic acid
CID 82496954
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
N-(4-propan-2-yloxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987392
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid?
The IUPAC name of 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid (CID 28710622) is 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid.
What is the SMILES notation for 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid?
The canonical SMILES for 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid is CC(C)Oc1ccc(NC(=O)C(=O)O)cc1.
What is the InChIKey of 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid?
The InChIKey is CNCZPYPCJFNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(2)16-9-5-3-8(4-6-9)12-10(13)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid?
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid has a molecular weight of 223.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-propan-2-yloxyanilino)acetic acid is sourced from PubChem (CID 28710622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).