tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate

C15H25NO5 — CID 134962150

IUPACtert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate
SMILESCOC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCOC2(CC2)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-12(17)11(16-13(18)19-4)10-5-8-20-15(9-10)6-7-15/h10-11H,5-9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyJSKRBYZSWBARTL-QWRGUYRKSA-N
MW299.37 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate

tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate (PubChem CID 134962150) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate
PubChem CID134962150
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nametert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate
SMILESCOC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCOC2(CC2)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-12(17)11(16-13(18)19-4)10-5-8-20-15(9-10)6-7-15/h10-11H,5-9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyJSKRBYZSWBARTL-QWRGUYRKSA-N
XLogP2.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate?
The IUPAC name of tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate (CID 134962150) is tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate.
What is the SMILES notation for tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate?
The canonical SMILES for tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate is COC(=O)N[C@H](C(=O)OC(C)(C)C)[C@H]1CCOC2(CC2)C1.
What is the InChIKey of tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate?
The InChIKey is JSKRBYZSWBARTL-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)21-12(17)11(16-13(18)19-4)10-5-8-20-15(9-10)6-7-15/h10-11H,5-9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate?
tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate has a molecular weight of 299.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetate is sourced from PubChem (CID 134962150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).