methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate

C13H25NO3 — CID 104643694

IUPACmethyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC1CCCCCCC1
InChIInChI=1S/C13H25NO3/c1-13(16,12(15)17-2)10-14-11-8-6-4-3-5-7-9-11/h11,14,16H,3-10H2,1-2H3
InChIKeyHQJZNSBPLCOUEA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds4

About methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate

methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate (PubChem CID 104643694) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate
PubChem CID104643694
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNC1CCCCCCC1
InChIInChI=1S/C13H25NO3/c1-13(16,12(15)17-2)10-14-11-8-6-4-3-5-7-9-11/h11,14,16H,3-10H2,1-2H3
InChIKeyHQJZNSBPLCOUEA-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate (CID 104643694) is methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CNC1CCCCCCC1.
What is the InChIKey of methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate?
The InChIKey is HQJZNSBPLCOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(16,12(15)17-2)10-14-11-8-6-4-3-5-7-9-11/h11,14,16H,3-10H2,1-2H3.
What are the key properties of methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate?
methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclooctylamino)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 104643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).