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

C11H15NO3 — CID 28969819

IUPAC2-(4-propan-2-yloxyanilino)acetic acid
SMILESCC(C)Oc1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-10-5-3-9(4-6-10)12-7-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyHUPKHSIDRKTNRW-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.97
Rot. Bonds5

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

2-(4-propan-2-yloxyanilino)acetic acid (PubChem CID 28969819) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyanilino)acetic acid
PubChem CID28969819
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-(4-propan-2-yloxyanilino)acetic acid
SMILESCC(C)Oc1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-10-5-3-9(4-6-10)12-7-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyHUPKHSIDRKTNRW-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
2-(4-propoxyanilino)acetic acid
CID 15310375
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyanilino)acetic acid?
The IUPAC name of 2-(4-propan-2-yloxyanilino)acetic acid (CID 28969819) is 2-(4-propan-2-yloxyanilino)acetic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyanilino)acetic acid?
The canonical SMILES for 2-(4-propan-2-yloxyanilino)acetic acid is CC(C)Oc1ccc(NCC(=O)O)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyanilino)acetic acid?
The InChIKey is HUPKHSIDRKTNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)15-10-5-3-9(4-6-10)12-7-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-propan-2-yloxyanilino)acetic acid?
2-(4-propan-2-yloxyanilino)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyanilino)acetic acid is sourced from PubChem (CID 28969819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).