1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one

C8H15NO4 — CID 106671129

IUPAC1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-13-3-2-8(12)9-4-6(10)7(11)5-9/h6-7,10-11H,2-5H2,1H3
InChIKeyUDOXHZNNOLDDBT-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.41
Rot. Bonds3

About 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one

1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one (PubChem CID 106671129) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
PubChem CID106671129
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C8H15NO4/c1-13-3-2-8(12)9-4-6(10)7(11)5-9/h6-7,10-11H,2-5H2,1H3
InChIKeyUDOXHZNNOLDDBT-UHFFFAOYSA-N
XLogP-1.41
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 106671765
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
3-methoxy-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 90594209
1-[2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-methoxypropan-1-one
CID 134071375
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-4-methoxybutan-1-one
CID 91306417
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 165448568

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one (CID 106671129) is 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one is COCCC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is UDOXHZNNOLDDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-13-3-2-8(12)9-4-6(10)7(11)5-9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one?
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 189.21 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 106671129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).