methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate

C13H26N2O3 — CID 22958997

IUPACmethyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(CN(C(C)C)C(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-10(2)15(11(3)4)9-12-8-14(6-7-18-12)13(16)17-5/h10-12H,6-9H2,1-5H3
InChIKeyYRLCCHCRKQBGES-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.57
Rot. Bonds4

About methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate

methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate (PubChem CID 22958997) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate
PubChem CID22958997
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOC(CN(C(C)C)C(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-10(2)15(11(3)4)9-12-8-14(6-7-18-12)13(16)17-5/h10-12H,6-9H2,1-5H3
InChIKeyYRLCCHCRKQBGES-UHFFFAOYSA-N
XLogP1.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate (CID 22958997) is methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate is COC(=O)N1CCOC(CN(C(C)C)C(C)C)C1.
What is the InChIKey of methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is YRLCCHCRKQBGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)15(11(3)4)9-12-8-14(6-7-18-12)13(16)17-5/h10-12H,6-9H2,1-5H3.
What are the key properties of methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate?
methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[di(propan-2-yl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 22958997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).