tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate

C11H21NO3 — CID 175706579

IUPACtert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate
SMILESC[C@@H](O)C1(N)CC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-7(13)11(12)5-8(6-11)9(14)15-10(2,3)4/h7-8,13H,5-6,12H2,1-4H3/t7-,8?,11?/m1/s1
InChIKeyVXYGAZIVZCZVQG-OBEAGUGNSA-N
MW215.29 g/mol
LogP0.82
Rot. Bonds2

About tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate

tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate (PubChem CID 175706579) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate
PubChem CID175706579
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate
SMILESC[C@@H](O)C1(N)CC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO3/c1-7(13)11(12)5-8(6-11)9(14)15-10(2,3)4/h7-8,13H,5-6,12H2,1-4H3/t7-,8?,11?/m1/s1
InChIKeyVXYGAZIVZCZVQG-OBEAGUGNSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
1-O-tert-butyl 3-O-(2-methylpropyl) cyclohexane-1,3-dicarboxylate
CID 66984015
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate (CID 175706579) is tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate is C[C@@H](O)C1(N)CC(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate?
The InChIKey is VXYGAZIVZCZVQG-OBEAGUGNSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(13)11(12)5-8(6-11)9(14)15-10(2,3)4/h7-8,13H,5-6,12H2,1-4H3/t7-,8?,11?/m1/s1.
What are the key properties of tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate?
tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 175706579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).