ethane;2-morpholin-4-ylethyl 2-methylpropanoate

C12H25NO3 — CID 156731056

IUPACethane;2-morpholin-4-ylethyl 2-methylpropanoate
SMILESCC.CC(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H19NO3.C2H6/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyPMSDKXSNMMSYOD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.54
Rot. Bonds4

About ethane;2-morpholin-4-ylethyl 2-methylpropanoate

ethane;2-morpholin-4-ylethyl 2-methylpropanoate (PubChem CID 156731056) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;2-morpholin-4-ylethyl 2-methylpropanoate.

Molecular Properties

Compound Nameethane;2-morpholin-4-ylethyl 2-methylpropanoate
PubChem CID156731056
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethane;2-morpholin-4-ylethyl 2-methylpropanoate
SMILESCC.CC(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H19NO3.C2H6/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyPMSDKXSNMMSYOD-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-morpholin-4-ylethyl 2-methylpropanoate 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

2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
CID 163516744
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 (NZ)-N-(1-aminoethylidene)carbamate
CID 20754847

Frequently Asked Questions

What is the IUPAC name of ethane;2-morpholin-4-ylethyl 2-methylpropanoate?
The IUPAC name of ethane;2-morpholin-4-ylethyl 2-methylpropanoate (CID 156731056) is ethane;2-morpholin-4-ylethyl 2-methylpropanoate.
What is the SMILES notation for ethane;2-morpholin-4-ylethyl 2-methylpropanoate?
The canonical SMILES for ethane;2-morpholin-4-ylethyl 2-methylpropanoate is CC.CC(C)C(=O)OCCN1CCOCC1.
What is the InChIKey of ethane;2-morpholin-4-ylethyl 2-methylpropanoate?
The InChIKey is PMSDKXSNMMSYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2H6/c1-9(2)10(12)14-8-5-11-3-6-13-7-4-11;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-morpholin-4-ylethyl 2-methylpropanoate?
ethane;2-morpholin-4-ylethyl 2-methylpropanoate has a molecular weight of 231.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-morpholin-4-ylethyl 2-methylpropanoate is sourced from PubChem (CID 156731056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).