tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate

C12H23N3O2 — CID 67289806

IUPACtert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N[C@H]2CCNC2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-7-10(8-15)14-9-4-5-13-6-9/h9-10,13-14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyXPHJTOQRQBWMEM-VIFPVBQESA-N
MW241.33 g/mol
LogP0.56
Rot. Bonds2

About tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate

tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate (PubChem CID 67289806) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
PubChem CID67289806
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N[C@H]2CCNC2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-7-10(8-15)14-9-4-5-13-6-9/h9-10,13-14H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyXPHJTOQRQBWMEM-VIFPVBQESA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-(piperidin-3-ylamino)azepane-1-carboxylate
CID 107249352
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl 3-[(1,1-dioxothian-3-yl)amino]azetidine-1-carboxylate
CID 63924279
tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate
CID 155895775

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate (CID 67289806) is tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N[C@H]2CCNC2)C1.
What is the InChIKey of tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate?
The InChIKey is XPHJTOQRQBWMEM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-7-10(8-15)14-9-4-5-13-6-9/h9-10,13-14H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 67289806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).