(2-methylcyclohexyl) 2-(methylamino)propanoate

C11H21NO2 — CID 62637630

IUPAC(2-methylcyclohexyl) 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OC1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-8-6-4-5-7-10(8)14-11(13)9(2)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyUYOPLXOXUUUIEH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds3

About (2-methylcyclohexyl) 2-(methylamino)propanoate

(2-methylcyclohexyl) 2-(methylamino)propanoate (PubChem CID 62637630) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2-methylcyclohexyl) 2-(methylamino)propanoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 2-(methylamino)propanoate
PubChem CID62637630
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2-methylcyclohexyl) 2-(methylamino)propanoate
SMILESCNC(C)C(=O)OC1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-8-6-4-5-7-10(8)14-11(13)9(2)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyUYOPLXOXUUUIEH-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
CID 156545215
(2-methylcyclohexyl) carbamate
CID 45090963
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
4-O-(2-methylcyclohexyl) 1-O-(2-methylpropyl) butanedioate
CID 91702025
2-(2-methylcyclohexyl)oxypropanehydrazide
CID 63574553
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(2-methylcyclohexyl) propanoate
CID 546179
4-O-(2-methylcyclohexyl) 1-O-(4-methylpentyl) (E)-but-2-enedioate
CID 91700771

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 2-(methylamino)propanoate?
The IUPAC name of (2-methylcyclohexyl) 2-(methylamino)propanoate (CID 62637630) is (2-methylcyclohexyl) 2-(methylamino)propanoate.
What is the SMILES notation for (2-methylcyclohexyl) 2-(methylamino)propanoate?
The canonical SMILES for (2-methylcyclohexyl) 2-(methylamino)propanoate is CNC(C)C(=O)OC1CCCCC1C.
What is the InChIKey of (2-methylcyclohexyl) 2-(methylamino)propanoate?
The InChIKey is UYOPLXOXUUUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-4-5-7-10(8)14-11(13)9(2)12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of (2-methylcyclohexyl) 2-(methylamino)propanoate?
(2-methylcyclohexyl) 2-(methylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 2-(methylamino)propanoate is sourced from PubChem (CID 62637630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).