dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate

C11H18N2O4 — CID 44552399

IUPACdimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2
InChIInChI=1S/C11H18N2O4/c1-16-7(14)10(12)3-9(4-10)5-11(13,6-9)8(15)17-2/h3-6,12-13H2,1-2H3
InChIKeyBFSYYSCJUUZREO-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds2

About dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate

dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate (PubChem CID 44552399) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate
PubChem CID44552399
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Namedimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2
InChIInChI=1S/C11H18N2O4/c1-16-7(14)10(12)3-9(4-10)5-11(13,6-9)8(15)17-2/h3-6,12-13H2,1-2H3
InChIKeyBFSYYSCJUUZREO-UHFFFAOYSA-N
XLogP-0.70
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate?
The IUPAC name of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate (CID 44552399) is dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate?
The canonical SMILES for dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate is COC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2.
What is the InChIKey of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate?
The InChIKey is BFSYYSCJUUZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-7(14)10(12)3-9(4-10)5-11(13,6-9)8(15)17-2/h3-6,12-13H2,1-2H3.
What are the key properties of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate?
dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate has a molecular weight of 242.27 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate is sourced from PubChem (CID 44552399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).