(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

C15H25NO3 — CID 129491958

IUPAC(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(O)CCC1
InChIInChI=1S/C15H25NO3/c17-13-7-2-1-5-11(13)12-6-3-10-16(12)14(18)15(19)8-4-9-15/h11-13,17,19H,1-10H2/t11-,12+,13+/m0/s1
InChIKeyKLMWCRAWTIJIKZ-YNEHKIRRSA-N
MW267.37 g/mol
LogP1.44
Rot. Bonds2

About (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (PubChem CID 129491958) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
PubChem CID129491958
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(O)CCC1
InChIInChI=1S/C15H25NO3/c17-13-7-2-1-5-11(13)12-6-3-10-16(12)14(18)15(19)8-4-9-15/h11-13,17,19H,1-10H2/t11-,12+,13+/m0/s1
InChIKeyKLMWCRAWTIJIKZ-YNEHKIRRSA-N
XLogP1.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 107180505
2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 129449015
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107180503
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
1-[(4S,4aR,8aR)-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 7107075
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447632
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129372840
(2,6-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539009

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (CID 129491958) is (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is O=C(N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(O)CCC1.
What is the InChIKey of (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The InChIKey is KLMWCRAWTIJIKZ-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13-7-2-1-5-11(13)12-6-3-10-16(12)14(18)15(19)8-4-9-15/h11-13,17,19H,1-10H2/t11-,12+,13+/m0/s1.
What are the key properties of (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone has a molecular weight of 267.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129491958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).