ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone

C9H19NO3 — CID 143657767

IUPACethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
SMILESCC.COC1CN(C(C)=O)C[C@H]1O
InChIInChI=1S/C7H13NO3.C2H6/c1-5(9)8-3-6(10)7(4-8)11-2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3/t6-,7?;/m1./s1
InChIKeyAUWLVHMOPSAEMR-JVEOKNEYSA-N
MW189.25 g/mol
LogP0.25
Rot. Bonds1

About ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone

ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone (PubChem CID 143657767) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
PubChem CID143657767
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone
SMILESCC.COC1CN(C(C)=O)C[C@H]1O
InChIInChI=1S/C7H13NO3.C2H6/c1-5(9)8-3-6(10)7(4-8)11-2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3/t6-,7?;/m1./s1
InChIKeyAUWLVHMOPSAEMR-JVEOKNEYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
3-amino-1-(3-hydroxy-4-methoxypyrrolidin-1-yl)propan-1-one
CID 121203853
4-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-oxobutanoic acid
CID 129496570
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
[(3R,4R,5R,6R)-1-acetyl-4,5,6-triacetyloxyazepan-3-yl] acetate
CID 10761870
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607
ethane;1-ethyl-4-methoxypyrrolidin-3-ol
CID 176573528
(3S,4S)-4-methoxy-1-(1-phenylethenyl)pyrrolidin-3-ol
CID 163796317
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone?
The IUPAC name of ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone (CID 143657767) is ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone is CC.COC1CN(C(C)=O)C[C@H]1O.
What is the InChIKey of ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone?
The InChIKey is AUWLVHMOPSAEMR-JVEOKNEYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-5(9)8-3-6(10)7(4-8)11-2;1-2/h6-7,10H,3-4H2,1-2H3;1-2H3/t6-,7?;/m1./s1.
What are the key properties of ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone?
ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone has a molecular weight of 189.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3R)-3-hydroxy-4-methoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143657767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).