2-(methylamino)ethyl 2,2-dimethylbutanoate

C9H19NO2 — CID 20678193

IUPAC2-(methylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNC
InChIInChI=1S/C9H19NO2/c1-5-9(2,3)8(11)12-7-6-10-4/h10H,5-7H2,1-4H3
InChIKeyOQALRDLGQQZXPA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds5

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

2-(methylamino)ethyl 2,2-dimethylbutanoate (PubChem CID 20678193) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(methylamino)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(methylamino)ethyl 2,2-dimethylbutanoate
PubChem CID20678193
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(methylamino)ethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCNC
InChIInChI=1S/C9H19NO2/c1-5-9(2,3)8(11)12-7-6-10-4/h10H,5-7H2,1-4H3
InChIKeyOQALRDLGQQZXPA-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(methylamino)ethyl 2,2-dimethylbutanoate (CID 20678193) is 2-(methylamino)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(methylamino)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(methylamino)ethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCNC.
What is the InChIKey of 2-(methylamino)ethyl 2,2-dimethylbutanoate?
The InChIKey is OQALRDLGQQZXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(2,3)8(11)12-7-6-10-4/h10H,5-7H2,1-4H3.
What are the key properties of 2-(methylamino)ethyl 2,2-dimethylbutanoate?
2-(methylamino)ethyl 2,2-dimethylbutanoate has a molecular weight of 173.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 20678193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).