propyl 3-hydroxy-4-morpholin-4-ylbutanoate

C11H21NO4 — CID 135080891

IUPACpropyl 3-hydroxy-4-morpholin-4-ylbutanoate
SMILESCCCOC(=O)CC(O)CN1CCOCC1
InChIInChI=1S/C11H21NO4/c1-2-5-16-11(14)8-10(13)9-12-3-6-15-7-4-12/h10,13H,2-9H2,1H3
InChIKeyINCRRQACCFRATM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds6

About propyl 3-hydroxy-4-morpholin-4-ylbutanoate

propyl 3-hydroxy-4-morpholin-4-ylbutanoate (PubChem CID 135080891) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is propyl 3-hydroxy-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namepropyl 3-hydroxy-4-morpholin-4-ylbutanoate
PubChem CID135080891
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepropyl 3-hydroxy-4-morpholin-4-ylbutanoate
SMILESCCCOC(=O)CC(O)CN1CCOCC1
InChIInChI=1S/C11H21NO4/c1-2-5-16-11(14)8-10(13)9-12-3-6-15-7-4-12/h10,13H,2-9H2,1H3
InChIKeyINCRRQACCFRATM-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propionylcarnitine
CID 107738
Acetyl-L-Carnitine
CID 7045767
Levacecarnine hydrochloride
CID 2733928
Butyryl-L-carnitine
CID 213144
Acetyl-DL-carnitine
CID 1
O-acetylcarnitinium
CID 439756
(+-)-Acetylcarnitine chloride
CID 197763
(-)-Propionylcarnitine
CID 188824
Malonylcarnitine
CID 91825606
Levocarnitine Propionate Hydrochloride
CID 157836
Levocarnitine-propionate
CID 157837
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
CID 2

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxy-4-morpholin-4-ylbutanoate?
The IUPAC name of propyl 3-hydroxy-4-morpholin-4-ylbutanoate (CID 135080891) is propyl 3-hydroxy-4-morpholin-4-ylbutanoate.
What is the SMILES notation for propyl 3-hydroxy-4-morpholin-4-ylbutanoate?
The canonical SMILES for propyl 3-hydroxy-4-morpholin-4-ylbutanoate is CCCOC(=O)CC(O)CN1CCOCC1.
What is the InChIKey of propyl 3-hydroxy-4-morpholin-4-ylbutanoate?
The InChIKey is INCRRQACCFRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-5-16-11(14)8-10(13)9-12-3-6-15-7-4-12/h10,13H,2-9H2,1H3.
What are the key properties of propyl 3-hydroxy-4-morpholin-4-ylbutanoate?
propyl 3-hydroxy-4-morpholin-4-ylbutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxy-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 135080891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).