2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one

C7H13NO3 — CID 130148123

IUPAC2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(O)CO)N1CCCC1
InChIInChI=1S/C7H13NO3/c9-5-6(10)7(11)8-3-1-2-4-8/h6,9-10H,1-5H2
InChIKeyUUUQKXABMYXXTQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.04
Rot. Bonds2

About 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one

2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 130148123) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID130148123
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(O)CO)N1CCCC1
InChIInChI=1S/C7H13NO3/c9-5-6(10)7(11)8-3-1-2-4-8/h6,9-10H,1-5H2
InChIKeyUUUQKXABMYXXTQ-UHFFFAOYSA-N
XLogP-1.04
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 58959887
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(2S)-2-hydroxy-1-pyrrolidin-1-yl-3-(2-tritioethoxy)propan-1-one
CID 59066924
2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one
CID 146268020
(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 124582793
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 10845219
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 130148123) is 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C(C(O)CO)N1CCCC1.
What is the InChIKey of 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UUUQKXABMYXXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-6(10)7(11)8-3-1-2-4-8/h6,9-10H,1-5H2.
What are the key properties of 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one?
2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 159.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 130148123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).