methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate

C11H21NO3 — CID 59262466

IUPACmethyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CC1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-11(12,10(14)15-2)7-8-4-3-5-9(13)6-8/h8-9,13H,3-7,12H2,1-2H3
InChIKeyWVYCVILXATWZJB-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate

methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate (PubChem CID 59262466) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate
PubChem CID59262466
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CC1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-11(12,10(14)15-2)7-8-4-3-5-9(13)6-8/h8-9,13H,3-7,12H2,1-2H3
InChIKeyWVYCVILXATWZJB-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate (CID 59262466) is methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate is COC(=O)C(C)(N)CC1CCCC(O)C1.
What is the InChIKey of methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate?
The InChIKey is WVYCVILXATWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(12,10(14)15-2)7-8-4-3-5-9(13)6-8/h8-9,13H,3-7,12H2,1-2H3.
What are the key properties of methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate?
methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-hydroxycyclohexyl)-2-methylpropanoate is sourced from PubChem (CID 59262466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).