methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate

C10H19NO3 — CID 86801081

IUPACmethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate
SMILESCOC(=O)CNC1CCCCC1CO
InChIInChI=1S/C10H19NO3/c1-14-10(13)6-11-9-5-3-2-4-8(9)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyFGBLSMZNKYWCME-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds4

About methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate

methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate (PubChem CID 86801081) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate
PubChem CID86801081
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate
SMILESCOC(=O)CNC1CCCCC1CO
InChIInChI=1S/C10H19NO3/c1-14-10(13)6-11-9-5-3-2-4-8(9)7-12/h8-9,11-12H,2-7H2,1H3
InChIKeyFGBLSMZNKYWCME-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate (CID 86801081) is methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate is COC(=O)CNC1CCCCC1CO.
What is the InChIKey of methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate?
The InChIKey is FGBLSMZNKYWCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)6-11-9-5-3-2-4-8(9)7-12/h8-9,11-12H,2-7H2,1H3.
What are the key properties of methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate?
methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]acetate is sourced from PubChem (CID 86801081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).