2-(4-aminophenyl)-2-methylpropanoic acid

C10H13NO2 — CID 15745377

IUPAC2-(4-aminophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyNYMSWDCXXWVJRI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.63
Rot. Bonds2

About 2-(4-aminophenyl)-2-methylpropanoic acid

2-(4-aminophenyl)-2-methylpropanoic acid (PubChem CID 15745377) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methylpropanoic acid
PubChem CID15745377
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(4-aminophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H13NO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyNYMSWDCXXWVJRI-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Actarit
CID 2018
4-Aminophenylacetic acid
CID 14533
4-Aminophenylalanine
CID 151001
Alminoprofen
CID 2097
3-(4-Aminophenyl)propionic acid
CID 75451
p-Amino-DL-phenylalanine hydrate
CID 95174
4-Aminohydratropic acid
CID 43026
4-(4-Aminophenyl)butanoic acid
CID 27049
2-(4-Nitrophenyl)butyric acid
CID 24047
2-[4-(Carbamoylamino)phenyl]propanoic acid
CID 12436937
(2S)-2-amino-2-phenylpropanoic acid
CID 853461
GED-0507-34-Levo
CID 67008033

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-aminophenyl)-2-methylpropanoic acid (CID 15745377) is 2-(4-aminophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-aminophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-aminophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methylpropanoic acid?
The InChIKey is NYMSWDCXXWVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-aminophenyl)-2-methylpropanoic acid?
2-(4-aminophenyl)-2-methylpropanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 15745377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).