(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid

C12H19NO3 — CID 124650181

IUPAC(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H19NO3/c1-12(11(14)15)4-2-10(3-5-12)13-6-8-16-9-7-13/h2H,3-9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyVHRXFGVZUUFXIX-LBPRGKRZSA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds2

About (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid

(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 124650181) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID124650181
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CC=C(N2CCOCC2)CC1
InChIInChI=1S/C12H19NO3/c1-12(11(14)15)4-2-10(3-5-12)13-6-8-16-9-7-13/h2H,3-9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyVHRXFGVZUUFXIX-LBPRGKRZSA-N
XLogP1.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid (CID 124650181) is (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid is C[C@]1(C(=O)O)CC=C(N2CCOCC2)CC1.
What is the InChIKey of (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is VHRXFGVZUUFXIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(11(14)15)4-2-10(3-5-12)13-6-8-16-9-7-13/h2H,3-9H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid?
(1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-4-morpholin-4-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 124650181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).