tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate

C14H28N2O3 — CID 102672148

IUPACtert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
SMILESCCCC(C)(O)CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-7-14(5,18)10-15-11-8-16(9-11)12(17)19-13(2,3)4/h11,15,18H,6-10H2,1-5H3
InChIKeySYJMMSIVOFSYSU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate (PubChem CID 102672148) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
PubChem CID102672148
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
SMILESCCCC(C)(O)CNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-6-7-14(5,18)10-15-11-8-16(9-11)12(17)19-13(2,3)4/h11,15,18H,6-10H2,1-5H3
InChIKeySYJMMSIVOFSYSU-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
CID 67392129
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097
tert-butyl 3-(heptan-4-ylamino)azetidine-1-carboxylate
CID 107241913
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-[2-[ethyl(propyl)amino]ethylamino]azetidine-1-carboxylate
CID 102672504
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate (CID 102672148) is tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate is CCCC(C)(O)CNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate?
The InChIKey is SYJMMSIVOFSYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-7-14(5,18)10-15-11-8-16(9-11)12(17)19-13(2,3)4/h11,15,18H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 102672148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).