(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one

C15H23N3O2 — CID 91647216

IUPAC(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-14(16)15(19)18-8-5-13(10-18)20-12-3-6-17-7-4-12/h3-4,6-7,11,13-14H,5,8-10,16H2,1-2H3/t13?,14-/m0/s1
InChIKeyAPQYKKFLZLHAJE-KZUDCZAMSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds5

About (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one

(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one (PubChem CID 91647216) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one
PubChem CID91647216
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-14(16)15(19)18-8-5-13(10-18)20-12-3-6-17-7-4-12/h3-4,6-7,11,13-14H,5,8-10,16H2,1-2H3/t13?,14-/m0/s1
InChIKeyAPQYKKFLZLHAJE-KZUDCZAMSA-N
XLogP1.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one (CID 91647216) is (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one is CC(C)C[C@H](N)C(=O)N1CCC(Oc2ccncc2)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one?
The InChIKey is APQYKKFLZLHAJE-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-14(16)15(19)18-8-5-13(10-18)20-12-3-6-17-7-4-12/h3-4,6-7,11,13-14H,5,8-10,16H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 91647216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).