(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid

C14H23NO5 — CID 2194176

IUPAC(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C[C@H](C(=O)OC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H23NO5/c16-13(17)10-12(15-6-8-19-9-7-15)14(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,17)/t12-/m1/s1
InChIKeyHTERBQQXMHCFEY-GFCCVEGCSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid

(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 2194176) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
PubChem CID2194176
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)C[C@H](C(=O)OC1CCCCC1)N1CCOCC1
InChIInChI=1S/C14H23NO5/c16-13(17)10-12(15-6-8-19-9-7-15)14(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,17)/t12-/m1/s1
InChIKeyHTERBQQXMHCFEY-GFCCVEGCSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid (CID 2194176) is (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid is O=C(O)C[C@H](C(=O)OC1CCCCC1)N1CCOCC1.
What is the InChIKey of (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is HTERBQQXMHCFEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13(17)10-12(15-6-8-19-9-7-15)14(18)20-11-4-2-1-3-5-11/h11-12H,1-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
(3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 2194176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).