2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide

C12H19N3O4 — CID 79030579

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
SMILESO=C(CN1CC[C@@H](O)C1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H19N3O4/c16-9-3-5-14(6-9)7-10(17)13-11(18)8-15-4-1-2-12(15)19/h9,16H,1-8H2,(H,13,17,18)/t9-/m1/s1
InChIKeyAGFJAQZGIIBLAP-SECBINFHSA-N
MW269.30 g/mol
LogP-1.68
Rot. Bonds4

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide (PubChem CID 79030579) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
PubChem CID79030579
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
SMILESO=C(CN1CC[C@@H](O)C1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H19N3O4/c16-9-3-5-14(6-9)7-10(17)13-11(18)8-15-4-1-2-12(15)19/h9,16H,1-8H2,(H,13,17,18)/t9-/m1/s1
InChIKeyAGFJAQZGIIBLAP-SECBINFHSA-N
XLogP-1.68
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 66260458
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 62013967
N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 62916480
1-[(3-hydroxypiperidin-1-yl)methyl]pyrrolidin-2-one
CID 12996911
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113241307
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962419
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
N-(cyclobutylmethyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334071
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide (CID 79030579) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide is O=C(CN1CC[C@@H](O)C1)NC(=O)CN1CCCC1=O.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
The InChIKey is AGFJAQZGIIBLAP-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O4/c16-9-3-5-14(6-9)7-10(17)13-11(18)8-15-4-1-2-12(15)19/h9,16H,1-8H2,(H,13,17,18)/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of -1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide is sourced from PubChem (CID 79030579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).