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

C11H20Cl2N2O4 — CID 44552398

IUPACdimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride
SMILESCOC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2.Cl.Cl
InChIInChI=1S/C11H18N2O4.2ClH/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;2*1H
InChIKeyANCLPKAYHNOPTQ-UHFFFAOYSA-N
MW315.20 g/mol
LogP0.14
Rot. Bonds2

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

dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride (PubChem CID 44552398) has the molecular formula C11H20Cl2N2O4 and a molecular weight of 315.20 g/mol. Its IUPAC name is dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride.

Molecular Properties

Compound Namedimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride
PubChem CID44552398
Molecular FormulaC11H20Cl2N2O4
Molecular Weight315.20 g/mol
Exact Mass314.08
IUPAC Namedimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride
SMILESCOC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2.Cl.Cl
InChIInChI=1S/C11H18N2O4.2ClH/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;2*1H
InChIKeyANCLPKAYHNOPTQ-UHFFFAOYSA-N
XLogP0.14
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 50.14
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;dihydrochloride?
The IUPAC name of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride (CID 44552398) is dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride.
What is the SMILES notation for dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride?
The canonical SMILES for dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride is COC(=O)C1(N)CC2(C1)CC(N)(C(=O)OC)C2.Cl.Cl.
What is the InChIKey of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride?
The InChIKey is ANCLPKAYHNOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4.2ClH/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;2*1H.
What are the key properties of dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride?
dimethyl 2,6-diaminospiro[3.3]heptane-2,6-dicarboxylate;dihydrochloride has a molecular weight of 315.20 g/mol, XLogP of 0.14, 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;dihydrochloride is sourced from PubChem (CID 44552398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).