2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate

C10H21NO3 — CID 23517428

IUPAC2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNCOC
InChIInChI=1S/C10H21NO3/c1-5-10(2,3)9(12)14-7-6-11-8-13-4/h11H,5-8H2,1-4H3
InChIKeyAPXYKFVHCMFULV-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.16
Rot. Bonds7

About 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate

2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 23517428) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate
PubChem CID23517428
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNCOC
InChIInChI=1S/C10H21NO3/c1-5-10(2,3)9(12)14-7-6-11-8-13-4/h11H,5-8H2,1-4H3
InChIKeyAPXYKFVHCMFULV-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate 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 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate (CID 23517428) is 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCNCOC.
What is the InChIKey of 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is APXYKFVHCMFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-10(2,3)9(12)14-7-6-11-8-13-4/h11H,5-8H2,1-4H3.
What are the key properties of 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate?
2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 203.28 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 23517428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).