1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate

C11H23NO3 — CID 58364173

IUPAC1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)CNCOC
InChIInChI=1S/C11H23NO3/c1-6-11(3,4)10(13)15-9(2)7-12-8-14-5/h9,12H,6-8H2,1-5H3
InChIKeyZHAQSCCLSZFRAW-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.55
Rot. Bonds7

About 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate

1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 58364173) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate
PubChem CID58364173
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)CNCOC
InChIInChI=1S/C11H23NO3/c1-6-11(3,4)10(13)15-9(2)7-12-8-14-5/h9,12H,6-8H2,1-5H3
InChIKeyZHAQSCCLSZFRAW-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate (CID 58364173) is 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)CNCOC.
What is the InChIKey of 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is ZHAQSCCLSZFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-11(3,4)10(13)15-9(2)7-12-8-14-5/h9,12H,6-8H2,1-5H3.
What are the key properties of 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate?
1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethylamino)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 58364173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).