4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid

C14H23NO5 — CID 2942977

IUPAC4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)CC(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)
InChIKeyHTERBQQXMHCFEY-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid

4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 2942977) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
PubChem CID2942977
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(O)CC(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)
InChIKeyHTERBQQXMHCFEY-UHFFFAOYSA-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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Related Compounds

Succinic acid, 2-(morpholin-4-yl)-, 1-isopropyl ester
CID 3351593
3-Morpholino-4-(nonyloxy)-4-oxobutanoic acid
CID 3813687
3-(Morpholin-4-yl)-4-oxo-4-(tetrahydrofuran-2-ylmethoxy)butanoic acid
CID 661853
L,D-morpholinosuccinic acid
CID 12615272
methyl (2R*,4S*)-1-(2-ethoxy-2-oxoethyl)-4-hydroxypiperidine-2-carboxylate
CID 133118263
(3R)-3-morpholin-4-yl-4-oxo-4-[[(2R)-oxolan-2-yl]methoxy]butanoic acid
CID 1876636
(3R)-3-morpholin-4-yl-4-oxo-4-[[(2S)-oxolan-2-yl]methoxy]butanoic acid
CID 1876634
4-Ethoxy-3-(morpholin-4-yl)-4-oxobutanoic acid
CID 3312061
(2S)-2-morpholin-4-ylbutanedioic acid
CID 12615273
2-[4-(2-Hydroxypropyl)-6-methyl-2-oxomorpholin-3-yl]acetic acid
CID 129239497
1-O-ethyl 4-O-[1-(4-hydroxy-1-methylpiperidin-2-yl)ethyl] butanedioate
CID 141379871
4-(2-Heptoxyethoxy)-2-morpholin-4-yl-4-oxobutanoic acid
CID 148531764

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid (CID 2942977) is 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid is O=C(O)CC(C(=O)OC1CCCCC1)N1CCOCC1.
What is the InChIKey of 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is HTERBQQXMHCFEY-UHFFFAOYSA-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).
What are the key properties of 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid?
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 4-cyclohexyloxy-3-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 2942977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).