methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate

C12H21NO4 — CID 104774968

IUPACmethyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C1CCCCC1O
InChIInChI=1S/C12H21NO4/c1-16-12(15)10-8-17-7-6-13(10)9-4-2-3-5-11(9)14/h9-11,14H,2-8H2,1H3
InChIKeyUGUAANSNJJTIPJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.16
Rot. Bonds2

About methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate

methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate (PubChem CID 104774968) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
PubChem CID104774968
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C1CCCCC1O
InChIInChI=1S/C12H21NO4/c1-16-12(15)10-8-17-7-6-13(10)9-4-2-3-5-11(9)14/h9-11,14H,2-8H2,1H3
InChIKeyUGUAANSNJJTIPJ-UHFFFAOYSA-N
XLogP0.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate (CID 104774968) is methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C1CCCCC1O.
What is the InChIKey of methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate?
The InChIKey is UGUAANSNJJTIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-12(15)10-8-17-7-6-13(10)9-4-2-3-5-11(9)14/h9-11,14H,2-8H2,1H3.
What are the key properties of methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate?
methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).