methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium

C13H23N2O3+ — CID 163516744

IUPACmethylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
SMILESC#[N+][C@@H](CC(C)C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23N2O3/c1-11(2)10-12(14-3)13(16)18-9-6-15-4-7-17-8-5-15/h3,11-12H,4-10H2,1-2H3/q+1/t12-/m0/s1
InChIKeyVYXJGTQGZDVOJP-LBPRGKRZSA-N
MW255.34 g/mol
LogP1.24
Rot. Bonds6

About methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium

methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium (PubChem CID 163516744) has the molecular formula C13H23N2O3+ and a molecular weight of 255.34 g/mol. Its IUPAC name is methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Namemethylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
PubChem CID163516744
Molecular FormulaC13H23N2O3+
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Namemethylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
SMILESC#[N+][C@@H](CC(C)C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23N2O3/c1-11(2)10-12(14-3)13(16)18-9-6-15-4-7-17-8-5-15/h3,11-12H,4-10H2,1-2H3/q+1/t12-/m0/s1
InChIKeyVYXJGTQGZDVOJP-LBPRGKRZSA-N
XLogP1.24
TPSA43.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium with MolForge

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Related Compounds

ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-(2-morpholin-4-ylethoxy)propanoyl fluoride
CID 139604150
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304

Frequently Asked Questions

What is the IUPAC name of methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium?
The IUPAC name of methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium (CID 163516744) is methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium.
What is the SMILES notation for methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium?
The canonical SMILES for methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium is C#[N+][C@@H](CC(C)C)C(=O)OCCN1CCOCC1.
What is the InChIKey of methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium?
The InChIKey is VYXJGTQGZDVOJP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N2O3/c1-11(2)10-12(14-3)13(16)18-9-6-15-4-7-17-8-5-15/h3,11-12H,4-10H2,1-2H3/q+1/t12-/m0/s1.
What are the key properties of methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium?
methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium has a molecular weight of 255.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 163516744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).