(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

C11H16N2O7 — CID 59610759

IUPAC(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCOC(=O)NCC(=O)N1CC2(C[C@H]1C(=O)O)OCCO2
InChIInChI=1S/C11H16N2O7/c1-18-10(17)12-5-8(14)13-6-11(19-2-3-20-11)4-7(13)9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,15,16)/t7-/m0/s1
InChIKeyGFUFIGCGYMNGDI-ZETCQYMHSA-N
MW288.26 g/mol
LogP-1.23
Rot. Bonds3

About (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid

(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 59610759) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID59610759
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESCOC(=O)NCC(=O)N1CC2(C[C@H]1C(=O)O)OCCO2
InChIInChI=1S/C11H16N2O7/c1-18-10(17)12-5-8(14)13-6-11(19-2-3-20-11)4-7(13)9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,15,16)/t7-/m0/s1
InChIKeyGFUFIGCGYMNGDI-ZETCQYMHSA-N
XLogP-1.23
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (CID 59610759) is (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is COC(=O)NCC(=O)N1CC2(C[C@H]1C(=O)O)OCCO2.
What is the InChIKey of (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is GFUFIGCGYMNGDI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N2O7/c1-18-10(17)12-5-8(14)13-6-11(19-2-3-20-11)4-7(13)9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,15,16)/t7-/m0/s1.
What are the key properties of (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
(8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-[2-(methoxycarbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 59610759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).