tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate

C14H27N3O2 — CID 63303169

IUPACtert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-10-12(11-17)15-6-9-16-7-4-5-8-16/h12,15H,4-11H2,1-3H3
InChIKeyDFSQZRGYXYNYIA-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds4

About tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate

tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate (PubChem CID 63303169) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
PubChem CID63303169
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCCN2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-10-12(11-17)15-6-9-16-7-4-5-8-16/h12,15H,4-11H2,1-3H3
InChIKeyDFSQZRGYXYNYIA-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
CID 97056058
tert-butyl 3-(2-thiomorpholin-4-ylethylamino)azetidine-1-carboxylate
CID 102672860
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
CID 103578415
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
CID 107243480
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate (CID 63303169) is tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCCN2CCCC2)C1.
What is the InChIKey of tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate?
The InChIKey is DFSQZRGYXYNYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-10-12(11-17)15-6-9-16-7-4-5-8-16/h12,15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate?
tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.29, 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-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate is sourced from PubChem (CID 63303169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).