methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate

C11H21NO3 — CID 81411374

IUPACmethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CO)CCCCC1
InChIInChI=1S/C11H21NO3/c1-15-10(14)7-12-8-11(9-13)5-3-2-4-6-11/h12-13H,2-9H2,1H3
InChIKeyPTPXORSCQGHKLP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate

methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate (PubChem CID 81411374) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
PubChem CID81411374
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CO)CCCCC1
InChIInChI=1S/C11H21NO3/c1-15-10(14)7-12-8-11(9-13)5-3-2-4-6-11/h12-13H,2-9H2,1H3
InChIKeyPTPXORSCQGHKLP-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
N,N-diethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 113293782
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 113293822
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 103966507
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate (CID 81411374) is methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate is COC(=O)CNCC1(CO)CCCCC1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate?
The InChIKey is PTPXORSCQGHKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-15-10(14)7-12-8-11(9-13)5-3-2-4-6-11/h12-13H,2-9H2,1H3.
What are the key properties of methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate?
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate is sourced from PubChem (CID 81411374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).