(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

C17H24N2O — CID 61163140

IUPAC(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13(2)12-16(18)17(20)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m0/s1
InChIKeyAKKUIHQTRBWWAS-INIZCTEOSA-N
MW272.39 g/mol
LogP2.68
Rot. Bonds4

About (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one

(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (PubChem CID 61163140) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
PubChem CID61163140
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-13(2)12-16(18)17(20)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m0/s1
InChIKeyAKKUIHQTRBWWAS-INIZCTEOSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-oxo-5-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentanoic acid
CID 64890283
(2R)-2-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 104921234
2-amino-4-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 114409539
2-[4-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 46561977
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
(2S)-2-amino-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-4-methylpentan-1-one
CID 119768955
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
4-[(2S)-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]oxybenzonitrile
CID 9169383
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one (CID 61163140) is (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is CC(C)C[C@H](N)C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
The InChIKey is AKKUIHQTRBWWAS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)12-16(18)17(20)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-8,13,16H,9-12,18H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 61163140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).