tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate

C16H30N2O4 — CID 162694815

IUPACtert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate
SMILESCC(C)(C)CC(=O)N[C@@H](C(=O)OC(C)(C)C)[C@H]1COC[C@H]1N
InChIInChI=1S/C16H30N2O4/c1-15(2,3)7-12(19)18-13(10-8-21-9-11(10)17)14(20)22-16(4,5)6/h10-11,13H,7-9,17H2,1-6H3,(H,18,19)/t10-,11+,13+/m0/s1
InChIKeyWUFUABVELPTWGY-DMDPSCGWSA-N
MW314.43 g/mol
LogP1.22
Rot. Bonds4

About tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate

tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate (PubChem CID 162694815) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate
PubChem CID162694815
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate
SMILESCC(C)(C)CC(=O)N[C@@H](C(=O)OC(C)(C)C)[C@H]1COC[C@H]1N
InChIInChI=1S/C16H30N2O4/c1-15(2,3)7-12(19)18-13(10-8-21-9-11(10)17)14(20)22-16(4,5)6/h10-11,13H,7-9,17H2,1-6H3,(H,18,19)/t10-,11+,13+/m0/s1
InChIKeyWUFUABVELPTWGY-DMDPSCGWSA-N
XLogP1.22
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(3,3-dimethylbutanoylamino)-2-[(3S,4R)-4-hydroxyoxolan-3-yl]acetate
CID 162694834
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149454210
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl (3aR,7S,7aS)-7-amino-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-2-carboxylate
CID 97112114
butyl 2-[(3R,4S)-4-azidooxolan-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 166728601
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
tert-butyl 2-(oxiran-2-yl)propanoate
CID 138606951

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate?
The IUPAC name of tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate (CID 162694815) is tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate.
What is the SMILES notation for tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate?
The canonical SMILES for tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate is CC(C)(C)CC(=O)N[C@@H](C(=O)OC(C)(C)C)[C@H]1COC[C@H]1N.
What is the InChIKey of tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate?
The InChIKey is WUFUABVELPTWGY-DMDPSCGWSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-15(2,3)7-12(19)18-13(10-8-21-9-11(10)17)14(20)22-16(4,5)6/h10-11,13H,7-9,17H2,1-6H3,(H,18,19)/t10-,11+,13+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate?
tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate has a molecular weight of 314.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3S,4S)-4-aminooxolan-3-yl]-2-(3,3-dimethylbutanoylamino)acetate is sourced from PubChem (CID 162694815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).