cyclobutyl 6-amino-4,4-dimethylhexanoate

C12H23NO2 — CID 65284984

IUPACcyclobutyl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)(CCN)CCC(=O)OC1CCC1
InChIInChI=1S/C12H23NO2/c1-12(2,8-9-13)7-6-11(14)15-10-4-3-5-10/h10H,3-9,13H2,1-2H3
InChIKeyYBDSQRUYFJQCBN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds6

About cyclobutyl 6-amino-4,4-dimethylhexanoate

cyclobutyl 6-amino-4,4-dimethylhexanoate (PubChem CID 65284984) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is cyclobutyl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Namecyclobutyl 6-amino-4,4-dimethylhexanoate
PubChem CID65284984
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namecyclobutyl 6-amino-4,4-dimethylhexanoate
SMILESCC(C)(CCN)CCC(=O)OC1CCC1
InChIInChI=1S/C12H23NO2/c1-12(2,8-9-13)7-6-11(14)15-10-4-3-5-10/h10H,3-9,13H2,1-2H3
InChIKeyYBDSQRUYFJQCBN-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of cyclobutyl 6-amino-4,4-dimethylhexanoate (CID 65284984) is cyclobutyl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for cyclobutyl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for cyclobutyl 6-amino-4,4-dimethylhexanoate is CC(C)(CCN)CCC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 6-amino-4,4-dimethylhexanoate?
The InChIKey is YBDSQRUYFJQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,8-9-13)7-6-11(14)15-10-4-3-5-10/h10H,3-9,13H2,1-2H3.
What are the key properties of cyclobutyl 6-amino-4,4-dimethylhexanoate?
cyclobutyl 6-amino-4,4-dimethylhexanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 65284984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).