tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol

C14H30N2O4 — CID 145359890

IUPACtert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
SMILESCO.COCCN(C)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3.CH4O/c1-13(2,3)18-12(16)15-7-6-11(10-15)14(4)8-9-17-5;1-2/h11H,6-10H2,1-5H3;2H,1H3
InChIKeyJZCSKKCUWHUXKM-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.18
Rot. Bonds4

About tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol

tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol (PubChem CID 145359890) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
PubChem CID145359890
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
SMILESCO.COCCN(C)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3.CH4O/c1-13(2,3)18-12(16)15-7-6-11(10-15)14(4)8-9-17-5;1-2/h11H,6-10H2,1-5H3;2H,1H3
InChIKeyJZCSKKCUWHUXKM-UHFFFAOYSA-N
XLogP1.18
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 3-[methyl(2-methylsulfonyloxyethyl)amino]azetidine-1-carboxylate
CID 118295970
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl 3-[formyl(methyl)amino]pyrrolidine-1-carboxylate
CID 173143855
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl (3S)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647440
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647426
tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
CID 171505452
tert-butyl (3S)-3-[methyl-[(2-methylphenyl)methyl]amino]pyrrolidine-1-carboxylate
CID 59891400
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
CID 71258498
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol?
The IUPAC name of tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol (CID 145359890) is tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol is CO.COCCN(C)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol?
The InChIKey is JZCSKKCUWHUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.CH4O/c1-13(2,3)18-12(16)15-7-6-11(10-15)14(4)8-9-17-5;1-2/h11H,6-10H2,1-5H3;2H,1H3.
What are the key properties of tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol?
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol has a molecular weight of 290.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol is sourced from PubChem (CID 145359890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).