(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one

C11H21NO3 — CID 144995944

IUPAC(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one
SMILESCCCC1CC(C)OC(=O)[C@@H](N)CCO1
InChIInChI=1S/C11H21NO3/c1-3-4-9-7-8(2)15-11(13)10(12)5-6-14-9/h8-10H,3-7,12H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyZLMGMDKOKJKZDY-RTBKNWGFSA-N
MW215.29 g/mol
LogP1.22
Rot. Bonds2

About (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one

(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one (PubChem CID 144995944) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one.

Molecular Properties

Compound Name(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one
PubChem CID144995944
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one
SMILESCCCC1CC(C)OC(=O)[C@@H](N)CCO1
InChIInChI=1S/C11H21NO3/c1-3-4-9-7-8(2)15-11(13)10(12)5-6-14-9/h8-10H,3-7,12H2,1-2H3/t8?,9?,10-/m0/s1
InChIKeyZLMGMDKOKJKZDY-RTBKNWGFSA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one?
The IUPAC name of (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one (CID 144995944) is (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one.
What is the SMILES notation for (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one?
The canonical SMILES for (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one is CCCC1CC(C)OC(=O)[C@@H](N)CCO1.
What is the InChIKey of (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one?
The InChIKey is ZLMGMDKOKJKZDY-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-9-7-8(2)15-11(13)10(12)5-6-14-9/h8-10H,3-7,12H2,1-2H3/t8?,9?,10-/m0/s1.
What are the key properties of (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one?
(7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one has a molecular weight of 215.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-4-methyl-2-propyl-1,5-dioxonan-6-one is sourced from PubChem (CID 144995944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).