ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate

C11H21NO3 — CID 62520986

IUPACethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C11H21NO3/c1-2-15-10(14)8-12-11(9-13)6-4-3-5-7-11/h12-13H,2-9H2,1H3
InChIKeyXBKOBUPYOUELJI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate

ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate (PubChem CID 62520986) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
PubChem CID62520986
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(CO)CCCCC1
InChIInChI=1S/C11H21NO3/c1-2-15-10(14)8-12-11(9-13)6-4-3-5-7-11/h12-13H,2-9H2,1H3
InChIKeyXBKOBUPYOUELJI-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465
N-butan-2-yl-2-[[1-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 62522420
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
CID 62522217
2-ethoxy-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519579
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 18320032
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoate
CID 103249148
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2-methoxyethyl)acetamide
CID 62518640
ethyl 3-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanoate
CID 106300343
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate (CID 62520986) is ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate is CCOC(=O)CNC1(CO)CCCCC1.
What is the InChIKey of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate?
The InChIKey is XBKOBUPYOUELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-10(14)8-12-11(9-13)6-4-3-5-7-11/h12-13H,2-9H2,1H3.
What are the key properties of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate?
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate is sourced from PubChem (CID 62520986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).