ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate

C12H23NO2 — CID 81385124

IUPACethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyHHQVEGZLVHWGSI-JTQLQIEISA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate

ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate (PubChem CID 81385124) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
PubChem CID81385124
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
SMILESCCOC(=O)CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyHHQVEGZLVHWGSI-JTQLQIEISA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
ethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]acetate
CID 60811081
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
ethyl 2-[[cyclohexyl(phenyl)methyl]amino]acetate
CID 60811477
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate (CID 81385124) is ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate is CCOC(=O)CN[C@@H](C)C1CCCCC1.
What is the InChIKey of ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate?
The InChIKey is HHQVEGZLVHWGSI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate?
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate is sourced from PubChem (CID 81385124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).