2-[4-(dimethylamino)anilino]-2-methylpropanoic acid

C12H18N2O2 — CID 82127908

IUPAC2-[4-(dimethylamino)anilino]-2-methylpropanoic acid
SMILESCN(C)c1ccc(NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,11(15)16)13-9-5-7-10(8-6-9)14(3)4/h5-8,13H,1-4H3,(H,15,16)
InChIKeyUEZXJFXGUOBTOF-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid

2-[4-(dimethylamino)anilino]-2-methylpropanoic acid (PubChem CID 82127908) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-2-methylpropanoic acid
PubChem CID82127908
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[4-(dimethylamino)anilino]-2-methylpropanoic acid
SMILESCN(C)c1ccc(NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,11(15)16)13-9-5-7-10(8-6-9)14(3)4/h5-8,13H,1-4H3,(H,15,16)
InChIKeyUEZXJFXGUOBTOF-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)anilino]-2-hydroxy-2-methylpropanoic acid
CID 104643991
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
1-chloro-N,N',N"-tris[4-(dimethylamino)phenyl]methanetriamine
CID 140531213
2-anilino-2-[4-(dimethylamino)phenyl]propanamide
CID 61004832
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
2-[4-(difluoromethylsulfonyl)anilino]-2-methylpropanoic acid
CID 61262117
4-[4-(dimethylamino)anilino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43616937
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911457
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid?
The IUPAC name of 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid (CID 82127908) is 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid is CN(C)c1ccc(NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid?
The InChIKey is UEZXJFXGUOBTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,11(15)16)13-9-5-7-10(8-6-9)14(3)4/h5-8,13H,1-4H3,(H,15,16).
What are the key properties of 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid?
2-[4-(dimethylamino)anilino]-2-methylpropanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-2-methylpropanoic acid is sourced from PubChem (CID 82127908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).