3-amino-4-phenylmethoxybutan-2-one

C11H15NO2 — CID 3355727

IUPAC3-amino-4-phenylmethoxybutan-2-one
SMILESCC(=O)C(N)COCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3
InChIKeyISLRAQPEXPIKDJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds5

About 3-amino-4-phenylmethoxybutan-2-one

3-amino-4-phenylmethoxybutan-2-one (PubChem CID 3355727) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-4-phenylmethoxybutan-2-one.

Molecular Properties

Compound Name3-amino-4-phenylmethoxybutan-2-one
PubChem CID3355727
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-amino-4-phenylmethoxybutan-2-one
SMILESCC(=O)C(N)COCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3
InChIKeyISLRAQPEXPIKDJ-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
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2-amino-N-(2-oxopropyl)-3-phenylmethoxypropanamide
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(2S)-2-amino-4-methylpentanoic acid;phenylmethoxymethylbenzene
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(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
CID 68714535
acetic acid;phenylmethoxymethylbenzene
CID 175214238
2-amino-3-phenylmethoxycarbonyloxypropanoic acid
CID 67008928
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenylmethoxybutan-2-one?
The IUPAC name of 3-amino-4-phenylmethoxybutan-2-one (CID 3355727) is 3-amino-4-phenylmethoxybutan-2-one.
What is the SMILES notation for 3-amino-4-phenylmethoxybutan-2-one?
The canonical SMILES for 3-amino-4-phenylmethoxybutan-2-one is CC(=O)C(N)COCc1ccccc1.
What is the InChIKey of 3-amino-4-phenylmethoxybutan-2-one?
The InChIKey is ISLRAQPEXPIKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)11(12)8-14-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3.
What are the key properties of 3-amino-4-phenylmethoxybutan-2-one?
3-amino-4-phenylmethoxybutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenylmethoxybutan-2-one is sourced from PubChem (CID 3355727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).