tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate

C14H26N2O4 — CID 83207478

IUPACtert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCCNC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-6-15-11(17)9-19-14(5)7-8-16(10-14)12(18)20-13(2,3)4/h6-10H2,1-5H3,(H,15,17)
InChIKeySZOXOELKEFXVAQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds4

About tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate

tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (PubChem CID 83207478) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
PubChem CID83207478
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCCNC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-6-15-11(17)9-19-14(5)7-8-16(10-14)12(18)20-13(2,3)4/h6-10H2,1-5H3,(H,15,17)
InChIKeySZOXOELKEFXVAQ-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
CID 83207371
tert-butyl 3-methyl-3-(1,2-oxazol-5-ylmethoxy)pyrrolidine-1-carboxylate
CID 83207577
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (CID 83207478) is tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is CCNC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The InChIKey is SZOXOELKEFXVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-15-11(17)9-19-14(5)7-8-16(10-14)12(18)20-13(2,3)4/h6-10H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 83207478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).