1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C9H17NO4 — CID 168662020

IUPAC1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(CO)(CO)N1CC(CO)CC1=O
InChIInChI=1S/C9H17NO4/c1-9(5-12,6-13)10-3-7(4-11)2-8(10)14/h7,11-13H,2-6H2,1H3
InChIKeyHDHZLUMNVYDAAA-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.43
Rot. Bonds4

About 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168662020) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168662020
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESCC(CO)(CO)N1CC(CO)CC1=O
InChIInChI=1S/C9H17NO4/c1-9(5-12,6-13)10-3-7(4-11)2-8(10)14/h7,11-13H,2-6H2,1H3
InChIKeyHDHZLUMNVYDAAA-UHFFFAOYSA-N
XLogP-1.43
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696106
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
1-(2,2-dimethylbutyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 103465010
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
CID 168661645
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
1-(1-amino-2-methylpropan-2-yl)-4-ethylpyrrolidin-2-one
CID 104523323
3-tert-butyl-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011518
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(3,5-ditert-butyl-4-hydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 22115997
tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168662020) is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is CC(CO)(CO)N1CC(CO)CC1=O.
What is the InChIKey of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is HDHZLUMNVYDAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(5-12,6-13)10-3-7(4-11)2-8(10)14/h7,11-13H,2-6H2,1H3.
What are the key properties of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of -1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168662020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).