(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one

C13H15N3O — CID 22803161

IUPAC(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
SMILESN[C@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1
InChIInChI=1S/C13H15N3O/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,15,16)/t12-/m1/s1
InChIKeyYFUSCYGKGZNGMO-GFCCVEGCSA-N
MW229.28 g/mol
LogP1.09
Rot. Bonds5

About (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one

(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one (PubChem CID 22803161) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
PubChem CID22803161
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
SMILESN[C@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1
InChIInChI=1S/C13H15N3O/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,15,16)/t12-/m1/s1
InChIKeyYFUSCYGKGZNGMO-GFCCVEGCSA-N
XLogP1.09
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
CID 70890206
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-[(E)-2-phenylethenyl]phenyl]butan-2-one
CID 46207139
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-methylphenyl)phenyl]butan-2-one
CID 70890355
(3S)-3-amino-1-(3,4-dichlorophenyl)-4-(1H-imidazol-5-yl)butan-2-one;tetrahydrochloride
CID 90664294
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-naphthalen-1-ylbutan-2-one;dihydrochloride
CID 44582648
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(3S)-3-amino-1-[4-[4-(4-butylphenyl)phenyl]phenyl]-4-(1H-imidazol-5-yl)butan-2-one
CID 46207111
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(3S)-3-amino-1-(2-hydroxynaphthalen-1-yl)-4-(1H-imidazol-5-yl)butan-2-one
CID 122459100
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one?
The IUPAC name of (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one (CID 22803161) is (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one.
What is the SMILES notation for (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one?
The canonical SMILES for (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one is N[C@H](Cc1cnc[nH]1)C(=O)Cc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one?
The InChIKey is YFUSCYGKGZNGMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15N3O/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one?
(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one is sourced from PubChem (CID 22803161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).