(2-methylcyclohexyl) 3-amino-2-methylpropanoate

C11H21NO2 — CID 62670621

IUPAC(2-methylcyclohexyl) 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-8-5-3-4-6-10(8)14-11(13)9(2)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyKZJOYZQNXVSRTO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds3

About (2-methylcyclohexyl) 3-amino-2-methylpropanoate

(2-methylcyclohexyl) 3-amino-2-methylpropanoate (PubChem CID 62670621) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2-methylcyclohexyl) 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 3-amino-2-methylpropanoate
PubChem CID62670621
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2-methylcyclohexyl) 3-amino-2-methylpropanoate
SMILESCC(CN)C(=O)OC1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-8-5-3-4-6-10(8)14-11(13)9(2)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyKZJOYZQNXVSRTO-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 3-amino-2-methylpropanoate?
The IUPAC name of (2-methylcyclohexyl) 3-amino-2-methylpropanoate (CID 62670621) is (2-methylcyclohexyl) 3-amino-2-methylpropanoate.
What is the SMILES notation for (2-methylcyclohexyl) 3-amino-2-methylpropanoate?
The canonical SMILES for (2-methylcyclohexyl) 3-amino-2-methylpropanoate is CC(CN)C(=O)OC1CCCCC1C.
What is the InChIKey of (2-methylcyclohexyl) 3-amino-2-methylpropanoate?
The InChIKey is KZJOYZQNXVSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-5-3-4-6-10(8)14-11(13)9(2)7-12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of (2-methylcyclohexyl) 3-amino-2-methylpropanoate?
(2-methylcyclohexyl) 3-amino-2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 3-amino-2-methylpropanoate is sourced from PubChem (CID 62670621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).