methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate

C12H23NO3 — CID 62540326

IUPACmethyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-15-9-8-13-11(12(14)16-2)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyFDMNIFWLQSILLR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds6

About methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate

methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate (PubChem CID 62540326) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
PubChem CID62540326
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
SMILESCOCCNC(C(=O)OC)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-15-9-8-13-11(12(14)16-2)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyFDMNIFWLQSILLR-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate
CID 101048674
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate?
The IUPAC name of methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate (CID 62540326) is methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate?
The canonical SMILES for methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate is COCCNC(C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate?
The InChIKey is FDMNIFWLQSILLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-15-9-8-13-11(12(14)16-2)10-6-4-3-5-7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate?
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate is sourced from PubChem (CID 62540326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).