2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

C10H19N3O — CID 94340668

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESN[C@@H]1CCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C10H19N3O/c11-9-3-6-12(7-9)8-10(14)13-4-1-2-5-13/h9H,1-8,11H2/t9-/m1/s1
InChIKeySCILBYKCYNHNCQ-SECBINFHSA-N
MW197.28 g/mol
LogP-0.36
Rot. Bonds2

About 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 94340668) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID94340668
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESN[C@@H]1CCN(CC(=O)N2CCCC2)C1
InChIInChI=1S/C10H19N3O/c11-9-3-6-12(7-9)8-10(14)13-4-1-2-5-13/h9H,1-8,11H2/t9-/m1/s1
InChIKeySCILBYKCYNHNCQ-SECBINFHSA-N
XLogP-0.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 94340668) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is N[C@@H]1CCN(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SCILBYKCYNHNCQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3O/c11-9-3-6-12(7-9)8-10(14)13-4-1-2-5-13/h9H,1-8,11H2/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 197.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 94340668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).