(1R)-1-amino-4-methyl-1-phenylpentan-3-one

C12H17NO — CID 58688874

IUPAC(1R)-1-amino-4-methyl-1-phenylpentan-3-one
SMILESCC(C)C(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1
InChIKeyFSEGWHYKERFPOQ-LLVKDONJSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds4

About (1R)-1-amino-4-methyl-1-phenylpentan-3-one

(1R)-1-amino-4-methyl-1-phenylpentan-3-one (PubChem CID 58688874) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-1-amino-4-methyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name(1R)-1-amino-4-methyl-1-phenylpentan-3-one
PubChem CID58688874
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-1-amino-4-methyl-1-phenylpentan-3-one
SMILESCC(C)C(=O)C[C@@H](N)c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1
InChIKeyFSEGWHYKERFPOQ-LLVKDONJSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-cyclopropyl-3-phenylpropan-1-one
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2-methyl-5-phenylhept-6-yn-3-one
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3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
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3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
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3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
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CID 61160864

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-4-methyl-1-phenylpentan-3-one?
The IUPAC name of (1R)-1-amino-4-methyl-1-phenylpentan-3-one (CID 58688874) is (1R)-1-amino-4-methyl-1-phenylpentan-3-one.
What is the SMILES notation for (1R)-1-amino-4-methyl-1-phenylpentan-3-one?
The canonical SMILES for (1R)-1-amino-4-methyl-1-phenylpentan-3-one is CC(C)C(=O)C[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-amino-4-methyl-1-phenylpentan-3-one?
The InChIKey is FSEGWHYKERFPOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(14)8-11(13)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-amino-4-methyl-1-phenylpentan-3-one?
(1R)-1-amino-4-methyl-1-phenylpentan-3-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-4-methyl-1-phenylpentan-3-one is sourced from PubChem (CID 58688874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).