methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

C10H16N2O5 — CID 169197829

IUPACmethyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CN)OCCO2
InChIInChI=1S/C10H16N2O5/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11/h7H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyMUUYJXUBGGTOJY-ZETCQYMHSA-N
MW244.25 g/mol
LogP-1.54
Rot. Bonds2

About methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 169197829) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Namemethyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID169197829
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Namemethyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)CN)OCCO2
InChIInChI=1S/C10H16N2O5/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11/h7H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyMUUYJXUBGGTOJY-ZETCQYMHSA-N
XLogP-1.54
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (CID 169197829) is methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is COC(=O)[C@@H]1CC2(CN1C(=O)CN)OCCO2.
What is the InChIKey of methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is MUUYJXUBGGTOJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11/h7H,2-6,11H2,1H3/t7-/m0/s1.
What are the key properties of methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 244.25 g/mol, XLogP of -1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 169197829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).