dimethyl 3,7-diamino-5-oxononanedioate

C11H20N2O5 — CID 57305042

IUPACdimethyl 3,7-diamino-5-oxononanedioate
SMILESCOC(=O)CC(N)CC(=O)CC(N)CC(=O)OC
InChIInChI=1S/C11H20N2O5/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2/h7-8H,3-6,12-13H2,1-2H3
InChIKeyOMJIJKOQHHQDNT-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.88
Rot. Bonds8

About dimethyl 3,7-diamino-5-oxononanedioate

dimethyl 3,7-diamino-5-oxononanedioate (PubChem CID 57305042) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl 3,7-diamino-5-oxononanedioate.

Molecular Properties

Compound Namedimethyl 3,7-diamino-5-oxononanedioate
PubChem CID57305042
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namedimethyl 3,7-diamino-5-oxononanedioate
SMILESCOC(=O)CC(N)CC(=O)CC(N)CC(=O)OC
InChIInChI=1S/C11H20N2O5/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2/h7-8H,3-6,12-13H2,1-2H3
InChIKeyOMJIJKOQHHQDNT-UHFFFAOYSA-N
XLogP-0.88
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
dimethyl 3,7,11,15-tetraamino-5,9,13-trihydroxyheptadecanedioate
CID 57204139
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl 3-amino-4-propan-2-yloxybutanoate
CID 116821262
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
methyl 3-amino-4-ethoxybutanoate
CID 116821263
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
dimethyl (2R)-2-aminobutanedioate
CID 6994535
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3-amino-4-(tert-butylamino)butanoate
CID 105443253

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,7-diamino-5-oxononanedioate?
The IUPAC name of dimethyl 3,7-diamino-5-oxononanedioate (CID 57305042) is dimethyl 3,7-diamino-5-oxononanedioate.
What is the SMILES notation for dimethyl 3,7-diamino-5-oxononanedioate?
The canonical SMILES for dimethyl 3,7-diamino-5-oxononanedioate is COC(=O)CC(N)CC(=O)CC(N)CC(=O)OC.
What is the InChIKey of dimethyl 3,7-diamino-5-oxononanedioate?
The InChIKey is OMJIJKOQHHQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-17-10(15)5-7(12)3-9(14)4-8(13)6-11(16)18-2/h7-8H,3-6,12-13H2,1-2H3.
What are the key properties of dimethyl 3,7-diamino-5-oxononanedioate?
dimethyl 3,7-diamino-5-oxononanedioate has a molecular weight of 260.29 g/mol, XLogP of -0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,7-diamino-5-oxononanedioate is sourced from PubChem (CID 57305042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).