4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid

C10H17NO3 — CID 43151786

IUPAC4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid
SMILESCC(C)=CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H17NO3/c1-8(2)7-9(12)11(3)6-4-5-10(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeySMQVFIMFRCFTAR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.28
Rot. Bonds5

About 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid

4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid (PubChem CID 43151786) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid
PubChem CID43151786
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid
SMILESCC(C)=CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H17NO3/c1-8(2)7-9(12)11(3)6-4-5-10(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeySMQVFIMFRCFTAR-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid (CID 43151786) is 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid is CC(C)=CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid?
The InChIKey is SMQVFIMFRCFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(2)7-9(12)11(3)6-4-5-10(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid?
4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylbut-2-enoyl)amino]butanoic acid is sourced from PubChem (CID 43151786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).