(2S)-3-phenyl-2-(propylamino)propanamide;yttrium

C12H17N2OY- — CID 59021356

IUPAC(2S)-3-phenyl-2-(propylamino)propanamide;yttrium
SMILES[CH2-]CCN[C@@H](Cc1ccccc1)C(N)=O.[Y]
InChIInChI=1S/C12H17N2O.Y/c1-2-8-14-11(12(13)15)9-10-6-4-3-5-7-10;/h3-7,11,14H,1-2,8-9H2,(H2,13,15);/q-1;/t11-;/m0./s1
InChIKeyUYJBJMOWOIWYPZ-MERQFXBCSA-N
MW294.19 g/mol
LogP0.89
Rot. Bonds6

About (2S)-3-phenyl-2-(propylamino)propanamide;yttrium

(2S)-3-phenyl-2-(propylamino)propanamide;yttrium (PubChem CID 59021356) has the molecular formula C12H17N2OY- and a molecular weight of 294.19 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(propylamino)propanamide;yttrium.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(propylamino)propanamide;yttrium
PubChem CID59021356
Molecular FormulaC12H17N2OY-
Molecular Weight294.19 g/mol
Exact Mass294.04
IUPAC Name(2S)-3-phenyl-2-(propylamino)propanamide;yttrium
SMILES[CH2-]CCN[C@@H](Cc1ccccc1)C(N)=O.[Y]
InChIInChI=1S/C12H17N2O.Y/c1-2-8-14-11(12(13)15)9-10-6-4-3-5-7-10;/h3-7,11,14H,1-2,8-9H2,(H2,13,15);/q-1;/t11-;/m0./s1
InChIKeyUYJBJMOWOIWYPZ-MERQFXBCSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enylamino)-3-phenylpropanamide
CID 67567715
methyl 7-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]heptanoate;hydrochloride
CID 70402985
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(propylamino)propanamide;yttrium?
The IUPAC name of (2S)-3-phenyl-2-(propylamino)propanamide;yttrium (CID 59021356) is (2S)-3-phenyl-2-(propylamino)propanamide;yttrium.
What is the SMILES notation for (2S)-3-phenyl-2-(propylamino)propanamide;yttrium?
The canonical SMILES for (2S)-3-phenyl-2-(propylamino)propanamide;yttrium is [CH2-]CCN[C@@H](Cc1ccccc1)C(N)=O.[Y].
What is the InChIKey of (2S)-3-phenyl-2-(propylamino)propanamide;yttrium?
The InChIKey is UYJBJMOWOIWYPZ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17N2O.Y/c1-2-8-14-11(12(13)15)9-10-6-4-3-5-7-10;/h3-7,11,14H,1-2,8-9H2,(H2,13,15);/q-1;/t11-;/m0./s1.
What are the key properties of (2S)-3-phenyl-2-(propylamino)propanamide;yttrium?
(2S)-3-phenyl-2-(propylamino)propanamide;yttrium has a molecular weight of 294.19 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(propylamino)propanamide;yttrium is sourced from PubChem (CID 59021356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).