1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one

C8H15NO5 — CID 107849713

IUPAC1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1C(CO)(CO)CO
InChIInChI=1S/C8H15NO5/c10-3-8(4-11,5-12)9-2-6(13)1-7(9)14/h6,10-13H,1-5H2
InChIKeyDNOVCTPKETUGQU-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.70
Rot. Bonds4

About 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one (PubChem CID 107849713) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
PubChem CID107849713
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1C(CO)(CO)CO
InChIInChI=1S/C8H15NO5/c10-3-8(4-11,5-12)9-2-6(13)1-7(9)14/h6,10-13H,1-5H2
InChIKeyDNOVCTPKETUGQU-UHFFFAOYSA-N
XLogP-2.70
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidin-2-one
CID 107868454
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
4-hydroxy-1-nitrosopyrrolidin-2-one
CID 154728047
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
1-(7-bicyclo[4.1.0]heptanyl)-4-hydroxypyrrolidin-2-one
CID 130874919
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696106
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
potassium;hydride;2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
CID 174987008
4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 168701588
4-hydroxy-1-[3-(2-hydroxyethylamino)propyl]pyrrolidin-2-one
CID 168702888
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one (CID 107849713) is 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1C(CO)(CO)CO.
What is the InChIKey of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one?
The InChIKey is DNOVCTPKETUGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-3-8(4-11,5-12)9-2-6(13)1-7(9)14/h6,10-13H,1-5H2.
What are the key properties of 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one?
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one has a molecular weight of 205.21 g/mol, XLogP of -2.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 107849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).