(3-methylcyclohexyl) 2-aminoacetate;propane

C12H25NO2 — CID 156718770

IUPAC(3-methylcyclohexyl) 2-aminoacetate;propane
SMILESCC1CCCC(OC(=O)CN)C1.CCC
InChIInChI=1S/C9H17NO2.C3H8/c1-7-3-2-4-8(5-7)12-9(11)6-10;1-3-2/h7-8H,2-6,10H2,1H3;3H2,1-2H3
InChIKeyHWKFGMFTIHNCGG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.48
Rot. Bonds2

About (3-methylcyclohexyl) 2-aminoacetate;propane

(3-methylcyclohexyl) 2-aminoacetate;propane (PubChem CID 156718770) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-aminoacetate;propane.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-aminoacetate;propane
PubChem CID156718770
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3-methylcyclohexyl) 2-aminoacetate;propane
SMILESCC1CCCC(OC(=O)CN)C1.CCC
InChIInChI=1S/C9H17NO2.C3H8/c1-7-3-2-4-8(5-7)12-9(11)6-10;1-3-2/h7-8H,2-6,10H2,1H3;3H2,1-2H3
InChIKeyHWKFGMFTIHNCGG-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-aminoacetate;propane?
The IUPAC name of (3-methylcyclohexyl) 2-aminoacetate;propane (CID 156718770) is (3-methylcyclohexyl) 2-aminoacetate;propane.
What is the SMILES notation for (3-methylcyclohexyl) 2-aminoacetate;propane?
The canonical SMILES for (3-methylcyclohexyl) 2-aminoacetate;propane is CC1CCCC(OC(=O)CN)C1.CCC.
What is the InChIKey of (3-methylcyclohexyl) 2-aminoacetate;propane?
The InChIKey is HWKFGMFTIHNCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C3H8/c1-7-3-2-4-8(5-7)12-9(11)6-10;1-3-2/h7-8H,2-6,10H2,1H3;3H2,1-2H3.
What are the key properties of (3-methylcyclohexyl) 2-aminoacetate;propane?
(3-methylcyclohexyl) 2-aminoacetate;propane has a molecular weight of 215.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-aminoacetate;propane is sourced from PubChem (CID 156718770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).