2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one

C14H25NO3 — CID 129449015

IUPAC2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H25NO3/c1-14(2,18)13(17)15-9-5-7-11(15)10-6-3-4-8-12(10)16/h10-12,16,18H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
InChIKeyYJPNIFNFIQDHPZ-QJPTWQEYSA-N
MW255.36 g/mol
LogP1.30
Rot. Bonds2

About 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one

2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 129449015) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID129449015
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H25NO3/c1-14(2,18)13(17)15-9-5-7-11(15)10-6-3-4-8-12(10)16/h10-12,16,18H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
InChIKeyYJPNIFNFIQDHPZ-QJPTWQEYSA-N
XLogP1.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79544455
N-tert-butyl-2-(2-hydroxycyclohexyl)piperidine-1-carboxamide
CID 79552874
4-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 129491820
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
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
cyclohexyl-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79545603
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
(1-hydroxycyclobutyl)-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129491958
2-methylpropyl 2-(2-hydroxycyclohexyl)pyrrolidine-1-carboxylate
CID 79549343
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
(2,2-dimethylcyclopentyl)-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]methanone
CID 107180505

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one (CID 129449015) is 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)(O)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YJPNIFNFIQDHPZ-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,18)13(17)15-9-5-7-11(15)10-6-3-4-8-12(10)16/h10-12,16,18H,3-9H2,1-2H3/t10-,11+,12+/m0/s1.
What are the key properties of 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one?
2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 129449015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).