trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol

C11H21NO2 — CID 146570259

IUPACtrans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol
SMILESCC(CO[C@@H]1CC[C@H]1N)[C@H]1CC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-7(8-2-4-10(8)13)6-14-11-5-3-9(11)12/h7-11,13H,2-6,12H2,1H3/t7?,8-,9-,10+,11-/m1/s1
InChIKeyZFIUSPGKLJBPDU-MXWGWFQNSA-N
MW199.29 g/mol
LogP0.90
Rot. Bonds4

About trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol

trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol (PubChem CID 146570259) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol
PubChem CID146570259
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol
SMILESCC(CO[C@@H]1CC[C@H]1N)[C@H]1CC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-7(8-2-4-10(8)13)6-14-11-5-3-9(11)12/h7-11,13H,2-6,12H2,1H3/t7?,8-,9-,10+,11-/m1/s1
InChIKeyZFIUSPGKLJBPDU-MXWGWFQNSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol with MolForge

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Related Compounds

1-(2-aminocyclopentyl)oxypropan-2-ol
CID 106938950
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 146251429
2-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 115625051
2-[(2S)-2-aminocyclobutyl]oxyacetamide
CID 174764136
1-(2-aminocyclopentyl)oxy-2,3-dimethylbutan-2-ol
CID 106940782
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
2-butan-2-ylcycloheptan-1-ol
CID 23148884
1-[2-[2-(4-methylcyclohexyl)propoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 143405107
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
2-ethoxycyclopentan-1-amine
CID 16792821

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol?
The IUPAC name of trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol (CID 146570259) is trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol is CC(CO[C@@H]1CC[C@H]1N)[C@H]1CC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol?
The InChIKey is ZFIUSPGKLJBPDU-MXWGWFQNSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(8-2-4-10(8)13)6-14-11-5-3-9(11)12/h7-11,13H,2-6,12H2,1H3/t7?,8-,9-,10+,11-/m1/s1.
What are the key properties of trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol?
trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[1-[(1R,2R)-2-aminocyclobutyl]oxypropan-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 146570259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).