(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate

C12H23NO3 — CID 59969206

IUPAC(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate
SMILESCOC(C)(C)C(C)(C)OC(=O)CN=C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)13-8-10(14)16-12(5,6)11(3,4)15-7/h8H2,1-7H3
InChIKeySSQWZJBYYIGGNP-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.21
Rot. Bonds5

About (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate

(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate (PubChem CID 59969206) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate.

Molecular Properties

Compound Name(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate
PubChem CID59969206
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate
SMILESCOC(C)(C)C(C)(C)OC(=O)CN=C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)13-8-10(14)16-12(5,6)11(3,4)15-7/h8H2,1-7H3
InChIKeySSQWZJBYYIGGNP-UHFFFAOYSA-N
XLogP2.21
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-(propan-2-ylideneamino)acetate
CID 23137660
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
Methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]propanoate
CID 123186191
Methyl 2-[1-[(2-methylpropan-2-yl)oxy]ethylideneamino]acetate
CID 123711525
Tert-butyl 2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylideneamino)acetate
CID 158444021

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate?
The IUPAC name of (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate (CID 59969206) is (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate.
What is the SMILES notation for (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate?
The canonical SMILES for (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate is COC(C)(C)C(C)(C)OC(=O)CN=C(C)C.
What is the InChIKey of (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate?
The InChIKey is SSQWZJBYYIGGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)13-8-10(14)16-12(5,6)11(3,4)15-7/h8H2,1-7H3.
What are the key properties of (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate?
(3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate has a molecular weight of 229.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,3-dimethylbutan-2-yl) 2-(propan-2-ylideneamino)acetate is sourced from PubChem (CID 59969206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).