2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid

C12H15NO2 — CID 1092638

IUPAC2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid
SMILESCC(C)c1ccccc1/C=N/CC(=O)O
InChIInChI=1S/C12H15NO2/c1-9(2)11-6-4-3-5-10(11)7-13-8-12(14)15/h3-7,9H,8H2,1-2H3,(H,14,15)/b13-7+
InChIKeyBKZUHGRDUPZJSY-NTUHNPAUSA-N
MW205.26 g/mol
LogP2.31
Rot. Bonds4

About 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid

2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid (PubChem CID 1092638) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid
PubChem CID1092638
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid
SMILESCC(C)c1ccccc1/C=N/CC(=O)O
InChIInChI=1S/C12H15NO2/c1-9(2)11-6-4-3-5-10(11)7-13-8-12(14)15/h3-7,9H,8H2,1-2H3,(H,14,15)/b13-7+
InChIKeyBKZUHGRDUPZJSY-NTUHNPAUSA-N
XLogP2.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid?
The IUPAC name of 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid (CID 1092638) is 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid.
What is the SMILES notation for 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid?
The canonical SMILES for 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid is CC(C)c1ccccc1/C=N/CC(=O)O.
What is the InChIKey of 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid?
The InChIKey is BKZUHGRDUPZJSY-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)11-6-4-3-5-10(11)7-13-8-12(14)15/h3-7,9H,8H2,1-2H3,(H,14,15)/b13-7+.
What are the key properties of 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid?
2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylphenyl)methylideneamino]acetic acid is sourced from PubChem (CID 1092638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).