methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate

C10H19NO3 — CID 103261608

IUPACmethyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNOCC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)7-14-11-6-5-9(3)10(12)13-4/h5,8,11H,6-7H2,1-4H3
InChIKeyXQLSOKJWAJNXSY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate

methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate (PubChem CID 103261608) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate
PubChem CID103261608
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNOCC(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)7-14-11-6-5-9(3)10(12)13-4/h5,8,11H,6-7H2,1-4H3
InChIKeyXQLSOKJWAJNXSY-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate 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 methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate (CID 103261608) is methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate is COC(=O)C(C)=CCNOCC(C)C.
What is the InChIKey of methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate?
The InChIKey is XQLSOKJWAJNXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)7-14-11-6-5-9(3)10(12)13-4/h5,8,11H,6-7H2,1-4H3.
What are the key properties of methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate?
methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate has a molecular weight of 201.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-methylpropoxyamino)but-2-enoate is sourced from PubChem (CID 103261608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).