methyl 2-amino-9-methyl-6-oxodecanoate

C12H23NO3 — CID 20715302

IUPACmethyl 2-amino-9-methyl-6-oxodecanoate
SMILESCOC(=O)C(N)CCCC(=O)CCC(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)7-8-10(14)5-4-6-11(13)12(15)16-3/h9,11H,4-8,13H2,1-3H3
InChIKeyVTBURPIBPOCLCA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.66
Rot. Bonds8

About methyl 2-amino-9-methyl-6-oxodecanoate

methyl 2-amino-9-methyl-6-oxodecanoate (PubChem CID 20715302) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-amino-9-methyl-6-oxodecanoate.

Molecular Properties

Compound Namemethyl 2-amino-9-methyl-6-oxodecanoate
PubChem CID20715302
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-amino-9-methyl-6-oxodecanoate
SMILESCOC(=O)C(N)CCCC(=O)CCC(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)7-8-10(14)5-4-6-11(13)12(15)16-3/h9,11H,4-8,13H2,1-3H3
InChIKeyVTBURPIBPOCLCA-UHFFFAOYSA-N
XLogP1.66
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2R)-2-amino-6-hydroxyhexanoate
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dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
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methyl (2S)-2-aminotridecanoate
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methyl 2-aminononadecanoate
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methyl 2-aminoheptadecanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-9-methyl-6-oxodecanoate?
The IUPAC name of methyl 2-amino-9-methyl-6-oxodecanoate (CID 20715302) is methyl 2-amino-9-methyl-6-oxodecanoate.
What is the SMILES notation for methyl 2-amino-9-methyl-6-oxodecanoate?
The canonical SMILES for methyl 2-amino-9-methyl-6-oxodecanoate is COC(=O)C(N)CCCC(=O)CCC(C)C.
What is the InChIKey of methyl 2-amino-9-methyl-6-oxodecanoate?
The InChIKey is VTBURPIBPOCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)7-8-10(14)5-4-6-11(13)12(15)16-3/h9,11H,4-8,13H2,1-3H3.
What are the key properties of methyl 2-amino-9-methyl-6-oxodecanoate?
methyl 2-amino-9-methyl-6-oxodecanoate has a molecular weight of 229.32 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-9-methyl-6-oxodecanoate is sourced from PubChem (CID 20715302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).