ethane;3-morpholin-4-ylpropyl 2-methylpropanoate

C13H27NO3 — CID 172564142

IUPACethane;3-morpholin-4-ylpropyl 2-methylpropanoate
SMILESCC.CC(C)C(=O)OCCCN1CCOCC1
InChIInChI=1S/C11H21NO3.C2H6/c1-10(2)11(13)15-7-3-4-12-5-8-14-9-6-12;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDMEXLUYATBCHJR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.93
Rot. Bonds5

About ethane;3-morpholin-4-ylpropyl 2-methylpropanoate

ethane;3-morpholin-4-ylpropyl 2-methylpropanoate (PubChem CID 172564142) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is ethane;3-morpholin-4-ylpropyl 2-methylpropanoate.

Molecular Properties

Compound Nameethane;3-morpholin-4-ylpropyl 2-methylpropanoate
PubChem CID172564142
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Nameethane;3-morpholin-4-ylpropyl 2-methylpropanoate
SMILESCC.CC(C)C(=O)OCCCN1CCOCC1
InChIInChI=1S/C11H21NO3.C2H6/c1-10(2)11(13)15-7-3-4-12-5-8-14-9-6-12;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDMEXLUYATBCHJR-UHFFFAOYSA-N
XLogP1.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;3-morpholin-4-ylpropyl 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

ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
2-(6-morpholin-4-ylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077710
4-chlorobutyl (2R)-2-methyl-3-morpholin-4-ylpropanoate
CID 40543841
N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
CID 171540702
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396

Frequently Asked Questions

What is the IUPAC name of ethane;3-morpholin-4-ylpropyl 2-methylpropanoate?
The IUPAC name of ethane;3-morpholin-4-ylpropyl 2-methylpropanoate (CID 172564142) is ethane;3-morpholin-4-ylpropyl 2-methylpropanoate.
What is the SMILES notation for ethane;3-morpholin-4-ylpropyl 2-methylpropanoate?
The canonical SMILES for ethane;3-morpholin-4-ylpropyl 2-methylpropanoate is CC.CC(C)C(=O)OCCCN1CCOCC1.
What is the InChIKey of ethane;3-morpholin-4-ylpropyl 2-methylpropanoate?
The InChIKey is DMEXLUYATBCHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3.C2H6/c1-10(2)11(13)15-7-3-4-12-5-8-14-9-6-12;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-morpholin-4-ylpropyl 2-methylpropanoate?
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate has a molecular weight of 245.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-morpholin-4-ylpropyl 2-methylpropanoate is sourced from PubChem (CID 172564142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).