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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyloxy-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)acetamide
CID 71858630
1-(Oxolane-2-carbonyl)pyrrolidin-3-amine
CID 62069338
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
N-(1-formylpyrrolidin-3-yl)oxolane-2-carboxamide
CID 145062396
[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 154498242
N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide
CID 43136676
N-(3-aminopropyl)-N-cyclopentyloxolane-2-carboxamide
CID 43136825
N-[(4S)-4-methoxypyrrolidin-3-yl]oxolane-2-carboxamide
CID 43594032
N-pyrrolidin-3-yloxolane-2-carboxamide
CID 43603630
N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide
CID 47016954
N-[2-[di(propan-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 47016963
N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxypropanamide
CID 47937805

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).