2-methyl-2-(2-propan-2-ylanilino)propanoic acid

C13H19NO2 — CID 114988779

IUPAC2-methyl-2-(2-propan-2-ylanilino)propanoic acid
SMILESCC(C)c1ccccc1NC(C)(C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-9(2)10-7-5-6-8-11(10)14-13(3,4)12(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeyGRMMPKHTFIGIIH-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-2-(2-propan-2-ylanilino)propanoic acid

2-methyl-2-(2-propan-2-ylanilino)propanoic acid (PubChem CID 114988779) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-2-(2-propan-2-ylanilino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-propan-2-ylanilino)propanoic acid
PubChem CID114988779
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methyl-2-(2-propan-2-ylanilino)propanoic acid
SMILESCC(C)c1ccccc1NC(C)(C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-9(2)10-7-5-6-8-11(10)14-13(3,4)12(15)16/h5-9,14H,1-4H3,(H,15,16)
InChIKeyGRMMPKHTFIGIIH-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-phenyl-2-(2-propan-2-ylanilino)acetamide
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3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propan-2-ylanilino)propanoic acid?
The IUPAC name of 2-methyl-2-(2-propan-2-ylanilino)propanoic acid (CID 114988779) is 2-methyl-2-(2-propan-2-ylanilino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-propan-2-ylanilino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-propan-2-ylanilino)propanoic acid is CC(C)c1ccccc1NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-propan-2-ylanilino)propanoic acid?
The InChIKey is GRMMPKHTFIGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)10-7-5-6-8-11(10)14-13(3,4)12(15)16/h5-9,14H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-(2-propan-2-ylanilino)propanoic acid?
2-methyl-2-(2-propan-2-ylanilino)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propan-2-ylanilino)propanoic acid is sourced from PubChem (CID 114988779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).