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

C10H14N2O2 — CID 28744032

IUPAC2-[4-(dimethylamino)anilino]acetic acid
SMILESCN(C)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)9-5-3-8(4-6-9)11-7-10(13)14/h3-6,11H,7H2,1-2H3,(H,13,14)
InChIKeyMOECQFJGEDVQPV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.25
Rot. Bonds4

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

2-[4-(dimethylamino)anilino]acetic acid (PubChem CID 28744032) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]acetic acid
PubChem CID28744032
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[4-(dimethylamino)anilino]acetic acid
SMILESCN(C)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)9-5-3-8(4-6-9)11-7-10(13)14/h3-6,11H,7H2,1-2H3,(H,13,14)
InChIKeyMOECQFJGEDVQPV-UHFFFAOYSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.25
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

2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
3-[4-(dimethylamino)anilino]-2-hydroxy-2-methylpropanoic acid
CID 104643991
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
(E)-4-[4-(dimethylamino)anilino]but-2-enoic acid
CID 103239361

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)anilino]acetic acid (CID 28744032) is 2-[4-(dimethylamino)anilino]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)anilino]acetic acid is CN(C)c1ccc(NCC(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]acetic acid?
The InChIKey is MOECQFJGEDVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)9-5-3-8(4-6-9)11-7-10(13)14/h3-6,11H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(dimethylamino)anilino]acetic acid?
2-[4-(dimethylamino)anilino]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 1.25, 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]acetic acid is sourced from PubChem (CID 28744032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).