(3S)-3-amino-4-methyl-4-phenylpentan-2-one

C12H17NO — CID 138709724

IUPAC(3S)-3-amino-4-methyl-4-phenylpentan-2-one
SMILESCC(=O)[C@@H](N)C(C)(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)11(13)12(2,3)10-7-5-4-6-8-10/h4-8,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyJUWWGSJAQYTVOI-LLVKDONJSA-N
MW191.27 g/mol
LogP1.88
Rot. Bonds3

About (3S)-3-amino-4-methyl-4-phenylpentan-2-one

(3S)-3-amino-4-methyl-4-phenylpentan-2-one (PubChem CID 138709724) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3S)-3-amino-4-methyl-4-phenylpentan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-methyl-4-phenylpentan-2-one
PubChem CID138709724
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3S)-3-amino-4-methyl-4-phenylpentan-2-one
SMILESCC(=O)[C@@H](N)C(C)(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)11(13)12(2,3)10-7-5-4-6-8-10/h4-8,11H,13H2,1-3H3/t11-/m1/s1
InChIKeyJUWWGSJAQYTVOI-LLVKDONJSA-N
XLogP1.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072
(2S)-2-amino-3-(4-chlorophenyl)-3-methylbutanoic acid
CID 67539036
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-(aminomethyl)-3-methyl-3-phenylbutanamide
CID 139627038
2-(2-acetylphenyl)-3-methyl-3-phenylbutanamide
CID 139637283
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-methyl-4-phenylpentan-2-one?
The IUPAC name of (3S)-3-amino-4-methyl-4-phenylpentan-2-one (CID 138709724) is (3S)-3-amino-4-methyl-4-phenylpentan-2-one.
What is the SMILES notation for (3S)-3-amino-4-methyl-4-phenylpentan-2-one?
The canonical SMILES for (3S)-3-amino-4-methyl-4-phenylpentan-2-one is CC(=O)[C@@H](N)C(C)(C)c1ccccc1.
What is the InChIKey of (3S)-3-amino-4-methyl-4-phenylpentan-2-one?
The InChIKey is JUWWGSJAQYTVOI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14)11(13)12(2,3)10-7-5-4-6-8-10/h4-8,11H,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (3S)-3-amino-4-methyl-4-phenylpentan-2-one?
(3S)-3-amino-4-methyl-4-phenylpentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-methyl-4-phenylpentan-2-one is sourced from PubChem (CID 138709724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).