3-(dimethylamino)-2-methylpent-2-enoic acid

C8H15NO2 — CID 57208112

IUPAC3-(dimethylamino)-2-methylpent-2-enoic acid
SMILESCCC(=C(C)C(=O)O)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(9(3)4)6(2)8(10)11/h5H2,1-4H3,(H,10,11)
InChIKeyCYABEPLASGHLFS-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.32
Rot. Bonds3

About 3-(dimethylamino)-2-methylpent-2-enoic acid

3-(dimethylamino)-2-methylpent-2-enoic acid (PubChem CID 57208112) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylpent-2-enoic acid
PubChem CID57208112
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(dimethylamino)-2-methylpent-2-enoic acid
SMILESCCC(=C(C)C(=O)O)N(C)C
InChIInChI=1S/C8H15NO2/c1-5-7(9(3)4)6(2)8(10)11/h5H2,1-4H3,(H,10,11)
InChIKeyCYABEPLASGHLFS-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-2-methylpent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(dimethylamino)-2-methyltridec-2-enoic acid
CID 87206678
3-(dimethylamino)-2-methylnonadec-2-enoic acid
CID 154482732
(E)-3-(dipentylamino)-2-methylpent-2-enoic acid
CID 23166160
(Z)-3-hydroxy-2-methylpent-2-enoic acid
CID 54723560
3-(dimethylamino)-2-nitropent-2-enoic acid
CID 173000074
(E)-N,N,4-trimethylhex-3-en-3-amine
CID 163931097
(E)-3-(diethylamino)-2-methylpent-2-enoic acid;(E)-2-(diethylamino)pent-2-enoic acid
CID 87949067
(Z)-2,3-dimethylbut-2-enedioic acid
CID 88647549
3-(diethylamino)-2,5,5-trimethylhex-2-enoic acid
CID 73414354
(E)-3-ethyl-2-methyl-4-oxopent-2-enedioic acid
CID 87224687
3-(diethylamino)-2-methylhenicos-2-enoic acid
CID 173010422
(E)-2-methyl-3-(methylamino)pent-2-enoic acid
CID 87166202

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 3-(dimethylamino)-2-methylpent-2-enoic acid (CID 57208112) is 3-(dimethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 3-(dimethylamino)-2-methylpent-2-enoic acid is CCC(=C(C)C(=O)O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methylpent-2-enoic acid?
The InChIKey is CYABEPLASGHLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-7(9(3)4)6(2)8(10)11/h5H2,1-4H3,(H,10,11).
What are the key properties of 3-(dimethylamino)-2-methylpent-2-enoic acid?
3-(dimethylamino)-2-methylpent-2-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 57208112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).