tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

C14H27NO3 — CID 114621457

IUPACtert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO3/c1-12(2,3)17-11(16)10(15)9-8-13(4,5)18-14(9,6)7/h9-10H,8,15H2,1-7H3
InChIKeyQXODEVSUSFJJTQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate (PubChem CID 114621457) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
PubChem CID114621457
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO3/c1-12(2,3)17-11(16)10(15)9-8-13(4,5)18-14(9,6)7/h9-10H,8,15H2,1-7H3
InChIKeyQXODEVSUSFJJTQ-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
[2,2-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propyl]hydrazine
CID 105203147
tert-butyl N-[1-cyclopropyl-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]carbamate
CID 103905930
3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
CID 114621793
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 105053043
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622899
tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
CID 119036154
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
2-cyclopropyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623524

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate (CID 114621457) is tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate is CC(C)(C)OC(=O)C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
The InChIKey is QXODEVSUSFJJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2,3)17-11(16)10(15)9-8-13(4,5)18-14(9,6)7/h9-10H,8,15H2,1-7H3.
What are the key properties of tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate?
tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate has a molecular weight of 257.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate is sourced from PubChem (CID 114621457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).