tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate

C13H24N2O2 — CID 124665922

IUPACtert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC([C@H](N)C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-10(8-15)11(14)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3/t11-/m1/s1
InChIKeyMQNHIGBPJIWQKX-LLVKDONJSA-N
MW240.35 g/mol
LogP1.98
Rot. Bonds2

About tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate

tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate (PubChem CID 124665922) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
PubChem CID124665922
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC([C@H](N)C2CCC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-10(8-15)11(14)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3/t11-/m1/s1
InChIKeyMQNHIGBPJIWQKX-LLVKDONJSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-(1-amino-2-hydroxyethyl)azetidine-1-carboxylate
CID 83910033
tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[amino-(3,4-dimethylcyclohexyl)methyl]pyrrolidine-1-carboxylate
CID 107092470
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
CID 97174928
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
(2S)-2-amino-2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 93087503

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate (CID 124665922) is tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC([C@H](N)C2CCC2)C1.
What is the InChIKey of tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate?
The InChIKey is MQNHIGBPJIWQKX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-10(8-15)11(14)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate?
tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 124665922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).