tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate

C14H22N2O3 — CID 81403373

IUPACtert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
SMILESC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C14H22N2O3/c1-10(12-6-5-7-18-12)15-11-8-16(9-11)13(17)19-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyDKHTXLQGWBTSQS-JTQLQIEISA-N
MW266.34 g/mol
LogP2.55
Rot. Bonds3

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

tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate (PubChem CID 81403373) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
PubChem CID81403373
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
SMILESC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccco1
InChIInChI=1S/C14H22N2O3/c1-10(12-6-5-7-18-12)15-11-8-16(9-11)13(17)19-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyDKHTXLQGWBTSQS-JTQLQIEISA-N
XLogP2.55
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 97175747
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
CID 63302812
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
CID 113231793
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781
tert-butyl (3S)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175805
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
tert-butyl (3S)-3-[[[(1S)-1-(furan-2-yl)ethyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 97175371
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate (CID 81403373) is tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate is C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccco1.
What is the InChIKey of tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate?
The InChIKey is DKHTXLQGWBTSQS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(12-6-5-7-18-12)15-11-8-16(9-11)13(17)19-14(2,3)4/h5-7,10-11,15H,8-9H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 81403373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).