(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione

C11H21NO3 — CID 124639866

IUPAC(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
SMILESCCC(=O)[C@@](O)(CC)C(=O)CCCCN
InChIInChI=1S/C11H21NO3/c1-3-9(13)11(15,4-2)10(14)7-5-6-8-12/h15H,3-8,12H2,1-2H3/t11-/m0/s1
InChIKeyYXHIUVHYTHGEDN-NSHDSACASA-N
MW215.29 g/mol
LogP0.80
Rot. Bonds8

About (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione

(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione (PubChem CID 124639866) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione.

Molecular Properties

Compound Name(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
PubChem CID124639866
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione
SMILESCCC(=O)[C@@](O)(CC)C(=O)CCCCN
InChIInChI=1S/C11H21NO3/c1-3-9(13)11(15,4-2)10(14)7-5-6-8-12/h15H,3-8,12H2,1-2H3/t11-/m0/s1
InChIKeyYXHIUVHYTHGEDN-NSHDSACASA-N
XLogP0.80
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-ethyl-4-hydroxyundecane-3,5-dione
CID 97050396
butane-1,4-diamine;propanoic acid;hydrofluoride
CID 174574728
14-aminotetradecan-3-one
CID 178176766
7-amino-2-ethoxy-2-methylheptan-3-one
CID 146555054
8-amino-1,1,1-trifluorooctan-2-one
CID 87826249
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450
5-aminopentanamide;ethane
CID 145257040
8-aminooctan-4-one
CID 25202394
11-amino-3-methylundecan-4-one
CID 176580818
4-amino-2-ethyl-2-hydroxy-3-oxobutanoic acid
CID 87110855
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
1-amino-2-hydroxy-2-methyltetradecan-3-one
CID 141154227

Frequently Asked Questions

What is the IUPAC name of (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione?
The IUPAC name of (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione (CID 124639866) is (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione.
What is the SMILES notation for (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione?
The canonical SMILES for (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione is CCC(=O)[C@@](O)(CC)C(=O)CCCCN.
What is the InChIKey of (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione?
The InChIKey is YXHIUVHYTHGEDN-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(13)11(15,4-2)10(14)7-5-6-8-12/h15H,3-8,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione?
(4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione has a molecular weight of 215.29 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-amino-4-ethyl-4-hydroxynonane-3,5-dione is sourced from PubChem (CID 124639866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).