1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C9H16N2O4 — CID 168696106

IUPAC1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(CO)(CO)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O4/c1-9(4-12,5-13)11-3-6(8(10)15)2-7(11)14/h6,12-13H,2-5H2,1H3,(H2,10,15)
InChIKeyDIGPWXBKMIRULF-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.94
Rot. Bonds4

About 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696106) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696106
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(CO)(CO)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C9H16N2O4/c1-9(4-12,5-13)11-3-6(8(10)15)2-7(11)14/h6,12-13H,2-5H2,1H3,(H2,10,15)
InChIKeyDIGPWXBKMIRULF-UHFFFAOYSA-N
XLogP-1.94
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dihydroxy-2-methylpropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662020
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 168695626
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168695710

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 168696106) is 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(CO)(CO)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DIGPWXBKMIRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(4-12,5-13)11-3-6(8(10)15)2-7(11)14/h6,12-13H,2-5H2,1H3,(H2,10,15).
What are the key properties of 1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of -1.94, 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)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).