2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one

C14H27N3O2 — CID 81089522

IUPAC2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-19-10-4-5-13(15)14(18)17-9-6-12(11-17)16-7-2-3-8-16/h12-13H,2-11,15H2,1H3
InChIKeyUZEIDXQZFKASQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one

2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 81089522) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID81089522
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-19-10-4-5-13(15)14(18)17-9-6-12(11-17)16-7-2-3-8-16/h12-13H,2-11,15H2,1H3
InChIKeyUZEIDXQZFKASQL-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methoxypentan-1-one
CID 81088340
2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-aminopentan-1-one
CID 93371854

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one (CID 81089522) is 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one is COCCCC(N)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is UZEIDXQZFKASQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-10-4-5-13(15)14(18)17-9-6-12(11-17)16-7-2-3-8-16/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one?
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 81089522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).