2-aminoethyl 2,3-dimethylbut-2-enoate

C8H15NO2 — CID 22257357

IUPAC2-aminoethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCN
InChIInChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h4-5,9H2,1-3H3
InChIKeyVIPKOXUFBKYIDL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About 2-aminoethyl 2,3-dimethylbut-2-enoate

2-aminoethyl 2,3-dimethylbut-2-enoate (PubChem CID 22257357) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-aminoethyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Name2-aminoethyl 2,3-dimethylbut-2-enoate
PubChem CID22257357
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-aminoethyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)OCCN
InChIInChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h4-5,9H2,1-3H3
InChIKeyVIPKOXUFBKYIDL-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoethylmethacrylate
CID 75496
2-(2-Methyl-acryloyloxy)-ethyl-ammonium
CID 6997168
Trimethyl aminoethyl acrylate
CID 20133837
1-Aminopropyl 2,3-dimethylbut-2-enoate
CID 18541475
2-Aminopropyl 2,3-dimethylbut-2-enoate
CID 21954366
3-Aminopropyl 2,3-dimethylbut-2-enoate
CID 22670044
2-aminoethyl (E)-2-methylbut-2-enoate
CID 22672257
3-Aminopropyl 2-methylbut-2-enoate
CID 53961767
2-Aminoethyl 3-cyano-2-methylbut-2-enoate
CID 54050516
2-Aminoethyl 3-ethyl-2-methylpent-2-enoate
CID 54199301
4-(2-Aminoethoxy)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 54374255
2-Aminoethyl 2-methylbut-2-enoate
CID 54377048

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2,3-dimethylbut-2-enoate?
The IUPAC name of 2-aminoethyl 2,3-dimethylbut-2-enoate (CID 22257357) is 2-aminoethyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for 2-aminoethyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for 2-aminoethyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl 2,3-dimethylbut-2-enoate?
The InChIKey is VIPKOXUFBKYIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h4-5,9H2,1-3H3.
What are the key properties of 2-aminoethyl 2,3-dimethylbut-2-enoate?
2-aminoethyl 2,3-dimethylbut-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 22257357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).