(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid

C11H14N2O2 — CID 106760143

IUPAC(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid
SMILESCN(C)c1ccccc1N/C=C/C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13(2)10-6-4-3-5-9(10)12-8-7-11(14)15/h3-8,12H,1-2H3,(H,14,15)/b8-7+
InChIKeyVIZMLZPVLAEEIU-BQYQJAHWSA-N
MW206.25 g/mol
LogP1.76
Rot. Bonds4

About (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid

(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid (PubChem CID 106760143) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid
PubChem CID106760143
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid
SMILESCN(C)c1ccccc1N/C=C/C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13(2)10-6-4-3-5-9(10)12-8-7-11(14)15/h3-8,12H,1-2H3,(H,14,15)/b8-7+
InChIKeyVIZMLZPVLAEEIU-BQYQJAHWSA-N
XLogP1.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[2-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 60940677
(E)-4-[2-(dimethylamino)anilino]but-2-enoic acid
CID 106760146
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
(E)-3-[2-(2-methoxyethyl)anilino]prop-2-enoic acid
CID 103268817
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
(E)-3-(2,3-dichloroanilino)prop-2-enoic acid
CID 103236214
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 106760414
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
CID 106760603
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid (CID 106760143) is (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid is CN(C)c1ccccc1N/C=C/C(=O)O.
What is the InChIKey of (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid?
The InChIKey is VIZMLZPVLAEEIU-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(2)10-6-4-3-5-9(10)12-8-7-11(14)15/h3-8,12H,1-2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid?
(E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(dimethylamino)anilino]prop-2-enoic acid is sourced from PubChem (CID 106760143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).