3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one

C15H27NO4 — CID 129351728

IUPAC3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)CC(C)(C)O
InChIInChI=1S/C15H27NO4/c1-15(2,18)9-14(17)16-7-8-20-10-12(16)11-5-4-6-13(11)19-3/h11-13,18H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyGZGMAXLZOMOGON-RWMBFGLXSA-N
MW285.38 g/mol
LogP1.19
Rot. Bonds4

About 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one

3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one (PubChem CID 129351728) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
PubChem CID129351728
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
SMILESCO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)CC(C)(C)O
InChIInChI=1S/C15H27NO4/c1-15(2,18)9-14(17)16-7-8-20-10-12(16)11-5-4-6-13(11)19-3/h11-13,18H,4-10H2,1-3H3/t11-,12-,13+/m0/s1
InChIKeyGZGMAXLZOMOGON-RWMBFGLXSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351762
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 129487190
1-[3-(2-methoxycyclopentyl)morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 128987996
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-(triazol-1-yl)propan-1-one
CID 129351763
2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
CID 167905349
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
[(3R)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487071
[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129487072
1-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 129345663
1-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-2-(4-methoxyphenyl)ethanone
CID 129486962
3-(4-ethylphenyl)-1-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]propan-1-one
CID 129486670
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one?
The IUPAC name of 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one (CID 129351728) is 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one is CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)CC(C)(C)O.
What is the InChIKey of 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one?
The InChIKey is GZGMAXLZOMOGON-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(2,18)9-14(17)16-7-8-20-10-12(16)11-5-4-6-13(11)19-3/h11-13,18H,4-10H2,1-3H3/t11-,12-,13+/m0/s1.
What are the key properties of 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one?
3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one has a molecular weight of 285.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one is sourced from PubChem (CID 129351728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).