methyl 2-amino-2-butylhexanoate

C11H23NO2 — CID 588441

IUPACmethyl 2-amino-2-butylhexanoate
SMILESCCCCC(N)(CCCC)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-6-8-11(12,9-7-5-2)10(13)14-3/h4-9,12H2,1-3H3
InChIKeyKFPMOPFYCGKUNA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-amino-2-butylhexanoate

methyl 2-amino-2-butylhexanoate (PubChem CID 588441) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-amino-2-butylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-butylhexanoate
PubChem CID588441
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-amino-2-butylhexanoate
SMILESCCCCC(N)(CCCC)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-6-8-11(12,9-7-5-2)10(13)14-3/h4-9,12H2,1-3H3
InChIKeyKFPMOPFYCGKUNA-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-butylhexanoate?
The IUPAC name of methyl 2-amino-2-butylhexanoate (CID 588441) is methyl 2-amino-2-butylhexanoate.
What is the SMILES notation for methyl 2-amino-2-butylhexanoate?
The canonical SMILES for methyl 2-amino-2-butylhexanoate is CCCCC(N)(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-butylhexanoate?
The InChIKey is KFPMOPFYCGKUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-11(12,9-7-5-2)10(13)14-3/h4-9,12H2,1-3H3.
What are the key properties of methyl 2-amino-2-butylhexanoate?
methyl 2-amino-2-butylhexanoate has a molecular weight of 201.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-butylhexanoate is sourced from PubChem (CID 588441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).