1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one

C9H17N3O — CID 89033638

IUPAC1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CNC[C@H]1N1CCCCC1=O
InChIInChI=1S/C9H17N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h7-8,11H,1-6,10H2/t7-,8+/m0/s1
InChIKeyVAWSZVKDESOLLQ-JGVFFNPUSA-N
MW183.25 g/mol
LogP-0.70
Rot. Bonds1

About 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one

1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one (PubChem CID 89033638) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one
PubChem CID89033638
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CNC[C@H]1N1CCCCC1=O
InChIInChI=1S/C9H17N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h7-8,11H,1-6,10H2/t7-,8+/m0/s1
InChIKeyVAWSZVKDESOLLQ-JGVFFNPUSA-N
XLogP-0.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one (CID 89033638) is 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one is N[C@H]1CNC[C@H]1N1CCCCC1=O.
What is the InChIKey of 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one?
The InChIKey is VAWSZVKDESOLLQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17N3O/c10-7-5-11-6-8(7)12-4-2-1-3-9(12)13/h7-8,11H,1-6,10H2/t7-,8+/m0/s1.
What are the key properties of 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one?
1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 89033638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).