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

C16H24N2O2 — CID 81088436

IUPAC2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-11-5-8-15(17)16(19)18-10-9-14(12-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3
InChIKeySLHMGOQJNOJUPG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds6

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

2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one (PubChem CID 81088436) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
PubChem CID81088436
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-20-11-5-8-15(17)16(19)18-10-9-14(12-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3
InChIKeySLHMGOQJNOJUPG-UHFFFAOYSA-N
XLogP1.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
2-amino-1-(4-phenylazepan-1-yl)pentan-1-one
CID 119316138
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one (CID 81088436) is 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one is COCCCC(N)C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is SLHMGOQJNOJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-11-5-8-15(17)16(19)18-10-9-14(12-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3.
What are the key properties of 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one?
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 81088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).