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

C10H13NO2 — CID 68527964

IUPAC(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
SMILESCOC[C@H](N)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeySFUOARWEAVQJBX-VIFPVBQESA-N
MW179.22 g/mol
LogP0.84
Rot. Bonds4

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

(2S)-2-amino-3-methoxy-1-phenylpropan-1-one (PubChem CID 68527964) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S)-2-amino-3-methoxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
PubChem CID68527964
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
SMILESCOC[C@H](N)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChIKeySFUOARWEAVQJBX-VIFPVBQESA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-methoxy-1-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
2-amino-1-(4-tert-butylphenyl)-3-methoxypropan-1-one
CID 116594171
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
4-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 104845056
2,3-diamino-1-phenylpropan-1-one
CID 4990100
4-amino-2,2-dimethoxy-5-oxo-5-phenylpentanoic acid
CID 174668093
2-amino-1-(3,5-difluorophenyl)-3-methoxypropan-1-one
CID 116594175
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
2-benzyl-3-methoxy-1-phenylpropan-1-one
CID 177312202
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methoxy-1-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-3-methoxy-1-phenylpropan-1-one (CID 68527964) is (2S)-2-amino-3-methoxy-1-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methoxy-1-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-3-methoxy-1-phenylpropan-1-one is COC[C@H](N)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methoxy-1-phenylpropan-1-one?
The InChIKey is SFUOARWEAVQJBX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methoxy-1-phenylpropan-1-one?
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methoxy-1-phenylpropan-1-one is sourced from PubChem (CID 68527964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).