methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate

C14H25NO3 — CID 54889920

IUPACmethyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)13(11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3
InChIKeyYMRJSSMBQJFBIC-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds5

About methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate

methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 54889920) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate
PubChem CID54889920
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)13(11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3
InChIKeyYMRJSSMBQJFBIC-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate (CID 54889920) is methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate is COC(=O)C(NCC1CCCO1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is YMRJSSMBQJFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-14(16)13(11-6-3-2-4-7-11)15-10-12-8-5-9-18-12/h11-13,15H,2-10H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate?
methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 54889920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).