ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate

C13H24N2O3 — CID 83316807

IUPACethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-2-18-12(17)9-15-11(16)8-13(10-14)6-4-3-5-7-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyQYBWEYALHRQYIM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.96
Rot. Bonds6

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

ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate (PubChem CID 83316807) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
PubChem CID83316807
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-2-18-12(17)9-15-11(16)8-13(10-14)6-4-3-5-7-13/h2-10,14H2,1H3,(H,15,16)
InChIKeyQYBWEYALHRQYIM-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
ethyl 4-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]butanoate
CID 81168194
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 106147918
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 104678245
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate (CID 83316807) is ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate?
The InChIKey is QYBWEYALHRQYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-18-12(17)9-15-11(16)8-13(10-14)6-4-3-5-7-13/h2-10,14H2,1H3,(H,15,16).
What are the key properties of ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate?
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate is sourced from PubChem (CID 83316807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).