(3R)-3-amino-4-(4-phenylphenyl)butan-2-one

C16H17NO — CID 159098025

IUPAC(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
SMILESCC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11,17H2,1H3/t16-/m1/s1
InChIKeyKCXLXYSRFQVASA-MRXNPFEDSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds4

About (3R)-3-amino-4-(4-phenylphenyl)butan-2-one

(3R)-3-amino-4-(4-phenylphenyl)butan-2-one (PubChem CID 159098025) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-phenylphenyl)butan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
PubChem CID159098025
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
SMILESCC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11,17H2,1H3/t16-/m1/s1
InChIKeyKCXLXYSRFQVASA-MRXNPFEDSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
CID 118163587

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-phenylphenyl)butan-2-one?
The IUPAC name of (3R)-3-amino-4-(4-phenylphenyl)butan-2-one (CID 159098025) is (3R)-3-amino-4-(4-phenylphenyl)butan-2-one.
What is the SMILES notation for (3R)-3-amino-4-(4-phenylphenyl)butan-2-one?
The canonical SMILES for (3R)-3-amino-4-(4-phenylphenyl)butan-2-one is CC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-phenylphenyl)butan-2-one?
The InChIKey is KCXLXYSRFQVASA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11,17H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-amino-4-(4-phenylphenyl)butan-2-one?
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one has a molecular weight of 239.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-phenylphenyl)butan-2-one is sourced from PubChem (CID 159098025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).