4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid

C10H20N2O2 — CID 103235270

IUPAC4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid
SMILESCCC(=CCNCCN(C)C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-4-9(10(13)14)5-6-11-7-8-12(2)3/h5,11H,4,6-8H2,1-3H3,(H,13,14)
InChIKeyWRJVQCZXAMTESE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.56
Rot. Bonds7

About 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid

4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid (PubChem CID 103235270) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid
PubChem CID103235270
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid
SMILESCCC(=CCNCCN(C)C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-4-9(10(13)14)5-6-11-7-8-12(2)3/h5,11H,4,6-8H2,1-3H3,(H,13,14)
InChIKeyWRJVQCZXAMTESE-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-4-(2,2,2-trifluoroethylamino)but-2-enoic acid
CID 103235316
2-Ethyl-4-(3,3,3-trifluoropropylamino)but-2-enoic acid
CID 103250342
4-(2,2-Difluoroethylamino)-2-ethylbut-2-enoic acid
CID 103260429
2-Ethyl-4-(4,4,4-trifluorobutylamino)but-2-enoic acid
CID 103261914
(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid
CID 18679977
(E)-5-(ethylamino)-2-methylpent-2-enoic acid
CID 23065070
(E)-5-(butylamino)-2-methylpent-2-enoic acid
CID 23143933
4-(Butylamino)-2-ethyl-4-oxobut-2-enoic acid
CID 53721105
2-Methyl-5-piperazin-1-ylpent-2-enoic acid
CID 56998205
2-Methyl-4-(propylamino)pent-2-enoic acid
CID 57097308
2-Methyl-5-(propylamino)pent-2-enoic acid
CID 57195467
5-(Butylamino)-2-methylpent-2-enoic acid
CID 57301551

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid (CID 103235270) is 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid is CCC(=CCNCCN(C)C)C(=O)O.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid?
The InChIKey is WRJVQCZXAMTESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-9(10(13)14)5-6-11-7-8-12(2)3/h5,11H,4,6-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid?
4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoic acid is sourced from PubChem (CID 103235270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).