(1R)-1-amino-3-methoxy-1-phenylpropan-2-one

C10H13NO2 — CID 104891033

IUPAC(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
SMILESCOCC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-7-9(12)10(11)8-5-3-2-4-6-8/h2-6,10H,7,11H2,1H3/t10-/m1/s1
InChIKeyHRVOTSDTUJACBQ-SNVBAGLBSA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds4

About (1R)-1-amino-3-methoxy-1-phenylpropan-2-one

(1R)-1-amino-3-methoxy-1-phenylpropan-2-one (PubChem CID 104891033) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (1R)-1-amino-3-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
PubChem CID104891033
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
SMILESCOCC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-7-9(12)10(11)8-5-3-2-4-6-8/h2-6,10H,7,11H2,1H3/t10-/m1/s1
InChIKeyHRVOTSDTUJACBQ-SNVBAGLBSA-N
XLogP0.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
1-amino-5,5-dimethyl-1-phenylhexan-2-one
CID 116551117
(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
1-amino-4-methyl-1-phenylhexan-2-one
CID 116551142
1-amino-1-phenylheptan-2-one
CID 116551276
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-methoxy-1-phenylpropan-2-one?
The IUPAC name of (1R)-1-amino-3-methoxy-1-phenylpropan-2-one (CID 104891033) is (1R)-1-amino-3-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for (1R)-1-amino-3-methoxy-1-phenylpropan-2-one?
The canonical SMILES for (1R)-1-amino-3-methoxy-1-phenylpropan-2-one is COCC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-amino-3-methoxy-1-phenylpropan-2-one?
The InChIKey is HRVOTSDTUJACBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-7-9(12)10(11)8-5-3-2-4-6-8/h2-6,10H,7,11H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-amino-3-methoxy-1-phenylpropan-2-one?
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 104891033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).