tert-butyl 2-(oxan-3-ylideneamino)acetate

C11H19NO3 — CID 158757922

IUPACtert-butyl 2-(oxan-3-ylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C1\CCCOC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)7-12-9-5-4-6-14-8-9/h4-8H2,1-3H3/b12-9+
InChIKeyUSVVYJBDXRRRPW-FMIVXFBMSA-N
MW213.28 g/mol
LogP1.58
Rot. Bonds2

About tert-butyl 2-(oxan-3-ylideneamino)acetate

tert-butyl 2-(oxan-3-ylideneamino)acetate (PubChem CID 158757922) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl 2-(oxan-3-ylideneamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(oxan-3-ylideneamino)acetate
PubChem CID158757922
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl 2-(oxan-3-ylideneamino)acetate
SMILESCC(C)(C)OC(=O)C/N=C1\CCCOC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)7-12-9-5-4-6-14-8-9/h4-8H2,1-3H3/b12-9+
InChIKeyUSVVYJBDXRRRPW-FMIVXFBMSA-N
XLogP1.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.58
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

[2-(Tetrahydro-pyran-4-yl)-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249246
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
Tert-butyl 2-(oxolan-3-ylideneamino)acetate
CID 157680674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(oxan-3-ylideneamino)acetate?
The IUPAC name of tert-butyl 2-(oxan-3-ylideneamino)acetate (CID 158757922) is tert-butyl 2-(oxan-3-ylideneamino)acetate.
What is the SMILES notation for tert-butyl 2-(oxan-3-ylideneamino)acetate?
The canonical SMILES for tert-butyl 2-(oxan-3-ylideneamino)acetate is CC(C)(C)OC(=O)C/N=C1\CCCOC1.
What is the InChIKey of tert-butyl 2-(oxan-3-ylideneamino)acetate?
The InChIKey is USVVYJBDXRRRPW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)7-12-9-5-4-6-14-8-9/h4-8H2,1-3H3/b12-9+.
What are the key properties of tert-butyl 2-(oxan-3-ylideneamino)acetate?
tert-butyl 2-(oxan-3-ylideneamino)acetate has a molecular weight of 213.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(oxan-3-ylideneamino)acetate is sourced from PubChem (CID 158757922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).