tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate

C14H25N3O3 — CID 168699063

IUPACtert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCN2CC(N)CC2=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-7-10(8-17)4-5-16-9-11(15)6-12(16)18/h10-11H,4-9,15H2,1-3H3
InChIKeyUCQQQROQNGGETL-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.80
Rot. Bonds3

About tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate

tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate (PubChem CID 168699063) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate
PubChem CID168699063
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCN2CC(N)CC2=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-7-10(8-17)4-5-16-9-11(15)6-12(16)18/h10-11H,4-9,15H2,1-3H3
InChIKeyUCQQQROQNGGETL-UHFFFAOYSA-N
XLogP0.80
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
tert-butyl 3-[2-(4-chloro-2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 168686816
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
tert-butyl 3-[(4-chloro-2-oxopyrrolidin-1-yl)methyl]azetidine-1-carboxylate
CID 168687215
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 152975023
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 20594915

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate (CID 168699063) is tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CCN2CC(N)CC2=O)C1.
What is the InChIKey of tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate?
The InChIKey is UCQQQROQNGGETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-7-10(8-17)4-5-16-9-11(15)6-12(16)18/h10-11H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate?
tert-butyl 3-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.80, 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-(4-amino-2-oxopyrrolidin-1-yl)ethyl]azetidine-1-carboxylate is sourced from PubChem (CID 168699063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).