dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride

C11H24Cl2N2O5 — CID 88760531

IUPACdimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
SMILESCOC(=O)CC(N)CC(O)CC(N)CC(=O)OC.Cl.Cl
InChIInChI=1S/C11H22N2O5.2ClH/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2;;/h7-9,14H,3-6,12-13H2,1-2H3;2*1H
InChIKeyNKIZVXMQUYJGSR-UHFFFAOYSA-N
MW335.23 g/mol
LogP-0.25
Rot. Bonds8

About dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride

dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride (PubChem CID 88760531) has the molecular formula C11H24Cl2N2O5 and a molecular weight of 335.23 g/mol. Its IUPAC name is dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride.

Molecular Properties

Compound Namedimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
PubChem CID88760531
Molecular FormulaC11H24Cl2N2O5
Molecular Weight335.23 g/mol
Exact Mass334.11
IUPAC Namedimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
SMILESCOC(=O)CC(N)CC(O)CC(N)CC(=O)OC.Cl.Cl
InChIInChI=1S/C11H22N2O5.2ClH/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2;;/h7-9,14H,3-6,12-13H2,1-2H3;2*1H
InChIKeyNKIZVXMQUYJGSR-UHFFFAOYSA-N
XLogP-0.25
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride?
The IUPAC name of dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride (CID 88760531) is dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride.
What is the SMILES notation for dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride?
The canonical SMILES for dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride is COC(=O)CC(N)CC(O)CC(N)CC(=O)OC.Cl.Cl.
What is the InChIKey of dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride?
The InChIKey is NKIZVXMQUYJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5.2ClH/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2;;/h7-9,14H,3-6,12-13H2,1-2H3;2*1H.
What are the key properties of dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride?
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride has a molecular weight of 335.23 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride is sourced from PubChem (CID 88760531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).