methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate

C12H22N2O3 — CID 55028611

IUPACmethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-12(16)17-2)8-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNHFWTRKHYTVCMW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate (PubChem CID 55028611) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
PubChem CID55028611
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-12(16)17-2)8-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNHFWTRKHYTVCMW-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
CID 60687528
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate (CID 55028611) is methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is NHFWTRKHYTVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(9-12(16)17-2)8-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 55028611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).