1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one

C13H24N2O2 — CID 119410162

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
SMILESCCC(OC1CCCC1)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(17-11-5-3-4-6-11)13(16)15-8-7-10(14)9-15/h10-12H,2-9,14H2,1H3/t10-,12?/m1/s1
InChIKeyFEISMMOQZNRSNQ-RWANSRKNSA-N
MW240.35 g/mol
LogP1.28
Rot. Bonds4

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one

1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one (PubChem CID 119410162) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
PubChem CID119410162
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
SMILESCCC(OC1CCCC1)C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C13H24N2O2/c1-2-12(17-11-5-3-4-6-11)13(16)15-8-7-10(14)9-15/h10-12H,2-9,14H2,1H3/t10-,12?/m1/s1
InChIKeyFEISMMOQZNRSNQ-RWANSRKNSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119379471
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one (CID 119410162) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one is CCC(OC1CCCC1)C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one?
The InChIKey is FEISMMOQZNRSNQ-RWANSRKNSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-12(17-11-5-3-4-6-11)13(16)15-8-7-10(14)9-15/h10-12H,2-9,14H2,1H3/t10-,12?/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one is sourced from PubChem (CID 119410162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).