propan-2-yl 6-amino-4,4-dimethylhexanoate

C11H23NO2 — CID 65285173

IUPACpropan-2-yl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)OC(=O)CCC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-9(2)14-10(13)5-6-11(3,4)7-8-12/h9H,5-8,12H2,1-4H3
InChIKeyUZBZQWCFXSJJGC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds6

About propan-2-yl 6-amino-4,4-dimethylhexanoate

propan-2-yl 6-amino-4,4-dimethylhexanoate (PubChem CID 65285173) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is propan-2-yl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 6-amino-4,4-dimethylhexanoate
PubChem CID65285173
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepropan-2-yl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)OC(=O)CCC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-9(2)14-10(13)5-6-11(3,4)7-8-12/h9H,5-8,12H2,1-4H3
InChIKeyUZBZQWCFXSJJGC-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of propan-2-yl 6-amino-4,4-dimethylhexanoate (CID 65285173) is propan-2-yl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for propan-2-yl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for propan-2-yl 6-amino-4,4-dimethylhexanoate is CC(C)OC(=O)CCC(C)(C)CCN.
What is the InChIKey of propan-2-yl 6-amino-4,4-dimethylhexanoate?
The InChIKey is UZBZQWCFXSJJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)14-10(13)5-6-11(3,4)7-8-12/h9H,5-8,12H2,1-4H3.
What are the key properties of propan-2-yl 6-amino-4,4-dimethylhexanoate?
propan-2-yl 6-amino-4,4-dimethylhexanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 65285173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).