2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide

C13H21N3O4 — CID 66260458

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
SMILESO=C(CN1CCCC1=O)NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C13H21N3O4/c17-9-10-3-1-5-15(10)7-11(18)14-12(19)8-16-6-2-4-13(16)20/h10,17H,1-9H2,(H,14,18,19)/t10-/m0/s1
InChIKeyDUDIYBOOIBLHQY-JTQLQIEISA-N
MW283.33 g/mol
LogP-1.29
Rot. Bonds5

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide (PubChem CID 66260458) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
PubChem CID66260458
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
SMILESO=C(CN1CCCC1=O)NC(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C13H21N3O4/c17-9-10-3-1-5-15(10)7-11(18)14-12(19)8-16-6-2-4-13(16)20/h10,17H,1-9H2,(H,14,18,19)/t10-/m0/s1
InChIKeyDUDIYBOOIBLHQY-JTQLQIEISA-N
XLogP-1.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
1-[2-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111116570
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 79030579
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide (CID 66260458) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide is O=C(CN1CCCC1=O)NC(=O)CN1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The InChIKey is DUDIYBOOIBLHQY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4/c17-9-10-3-1-5-15(10)7-11(18)14-12(19)8-16-6-2-4-13(16)20/h10,17H,1-9H2,(H,14,18,19)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide is sourced from PubChem (CID 66260458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).