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

C16H30N2O4 — CID 103916206

IUPACtert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-14(2,3)17-12(19)10-21-16(7)8-9-18(11-16)13(20)22-15(4,5)6/h8-11H2,1-7H3,(H,17,19)
InChIKeyWFENFFBFCLUEFR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds3

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

tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (PubChem CID 103916206) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
PubChem CID103916206
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-14(2,3)17-12(19)10-21-16(7)8-9-18(11-16)13(20)22-15(4,5)6/h8-11H2,1-7H3,(H,17,19)
InChIKeyWFENFFBFCLUEFR-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 83207478
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-methyl-3-[(2-methyltetrazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 107044470
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate (CID 103916206) is tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is CC(C)(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
The InChIKey is WFENFFBFCLUEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-14(2,3)17-12(19)10-21-16(7)8-9-18(11-16)13(20)22-15(4,5)6/h8-11H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate?
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 103916206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).