2-hydroxybutyl morpholine-4-carboxylate;methane

C11H25NO4 — CID 158189157

IUPAC2-hydroxybutyl morpholine-4-carboxylate;methane
SMILESC.C.CCC(O)COC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO4.2CH4/c1-2-8(11)7-14-9(12)10-3-5-13-6-4-10;;/h8,11H,2-7H2,1H3;2*1H4
InChIKeyFZNIZOFCSQZIPY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.50
Rot. Bonds3

About 2-hydroxybutyl morpholine-4-carboxylate;methane

2-hydroxybutyl morpholine-4-carboxylate;methane (PubChem CID 158189157) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-hydroxybutyl morpholine-4-carboxylate;methane.

Molecular Properties

Compound Name2-hydroxybutyl morpholine-4-carboxylate;methane
PubChem CID158189157
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name2-hydroxybutyl morpholine-4-carboxylate;methane
SMILESC.C.CCC(O)COC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO4.2CH4/c1-2-8(11)7-14-9(12)10-3-5-13-6-4-10;;/h8,11H,2-7H2,1H3;2*1H4
InChIKeyFZNIZOFCSQZIPY-UHFFFAOYSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxybutyl morpholine-4-carboxylate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 67764639
(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
CID 144653695
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
bis(3-chloro-2-hydroxypropyl) piperazine-1,4-dicarboxylate
CID 14070104
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
methyl morpholine-4-carboxylate
CID 12575354

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutyl morpholine-4-carboxylate;methane?
The IUPAC name of 2-hydroxybutyl morpholine-4-carboxylate;methane (CID 158189157) is 2-hydroxybutyl morpholine-4-carboxylate;methane.
What is the SMILES notation for 2-hydroxybutyl morpholine-4-carboxylate;methane?
The canonical SMILES for 2-hydroxybutyl morpholine-4-carboxylate;methane is C.C.CCC(O)COC(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxybutyl morpholine-4-carboxylate;methane?
The InChIKey is FZNIZOFCSQZIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.2CH4/c1-2-8(11)7-14-9(12)10-3-5-13-6-4-10;;/h8,11H,2-7H2,1H3;2*1H4.
What are the key properties of 2-hydroxybutyl morpholine-4-carboxylate;methane?
2-hydroxybutyl morpholine-4-carboxylate;methane has a molecular weight of 235.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutyl morpholine-4-carboxylate;methane is sourced from PubChem (CID 158189157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).