tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate

C11H20N2O3 — CID 129403343

IUPACtert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CC(N)=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(13)7-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m0/s1
InChIKeyFIYURWZEBYVTFG-QMMMGPOBSA-N
MW228.29 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate (PubChem CID 129403343) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
PubChem CID129403343
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CC(N)=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(13)7-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m0/s1
InChIKeyFIYURWZEBYVTFG-QMMMGPOBSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-iodoprop-2-enyl)pyrrolidine-1-carboxylate
CID 13113462
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-[[(5-amino-5-oxopentyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106234160
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106275152

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate (CID 129403343) is tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]1CC(N)=O.
What is the InChIKey of tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
The InChIKey is FIYURWZEBYVTFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(13)7-9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).