4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid

C8H13NO2 — CID 174790892

IUPAC4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
SMILESC=CN(C)CCC(=C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-9(3)6-5-7(2)8(10)11/h4H,1-2,5-6H2,3H3,(H,10,11)
InChIKeyRIQWOLBWEZVKSM-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.09
Rot. Bonds5

About 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid

4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid (PubChem CID 174790892) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
PubChem CID174790892
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
SMILESC=CN(C)CCC(=C)C(=O)O
InChIInChI=1S/C8H13NO2/c1-4-9(3)6-5-7(2)8(10)11/h4H,1-2,5-6H2,3H3,(H,10,11)
InChIKeyRIQWOLBWEZVKSM-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
CID 87949068
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
4-(dihexylamino)-2-methylidenebutanoic acid
CID 54357423
2-methylidenepentanoic acid;hydrate
CID 88770361
bis(N,N-dimethylmethanamine);bis(2-methylidenebutanoic acid);2-methylidenepentanoic acid;hydrochloride
CID 173194624
bis(N,N-dimethylmethanamine);5,5-dimethyl-2-methylidenehexanoic acid;hydrochloride
CID 173263480
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenepentanedioic acid
CID 88647821
2-methylidenehexanoic acid;zinc
CID 174824467
4-(dimethylamino)-2-methylidenebutanoic acid;phenylmethanamine;hydrochloride
CID 175003211

Frequently Asked Questions

What is the IUPAC name of 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid?
The IUPAC name of 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid (CID 174790892) is 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid.
What is the SMILES notation for 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid?
The canonical SMILES for 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid is C=CN(C)CCC(=C)C(=O)O.
What is the InChIKey of 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid?
The InChIKey is RIQWOLBWEZVKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-9(3)6-5-7(2)8(10)11/h4H,1-2,5-6H2,3H3,(H,10,11).
What are the key properties of 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid?
4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid is sourced from PubChem (CID 174790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).