methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate

C11H15NO4 — CID 10955237

IUPACmethyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(OC)cc1)NO
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-8(4-6-9)7-10(12-14)11(13)16-2/h3-6,10,12,14H,7H2,1-2H3/t10-/m0/s1
InChIKeyLDUQRKAYWUZTLE-JTQLQIEISA-N
MW225.24 g/mol
LogP0.76
Rot. Bonds5

About methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate

methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 10955237) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
PubChem CID10955237
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(OC)cc1)NO
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-8(4-6-9)7-10(12-14)11(13)16-2/h3-6,10,12,14H,7H2,1-2H3/t10-/m0/s1
InChIKeyLDUQRKAYWUZTLE-JTQLQIEISA-N
XLogP0.76
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate 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

methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
CID 175334706
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
methyl (2R)-2-(but-3-ynylamino)-3-(4-methoxyphenyl)propanoate
CID 24938361
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
methyl (2R)-2-acetamido-3-(4-acetyloxyphenyl)propanoate
CID 11818302
(2R)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;methane
CID 160621097

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate (CID 10955237) is methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate is COC(=O)[C@H](Cc1ccc(OC)cc1)NO.
What is the InChIKey of methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is LDUQRKAYWUZTLE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-5-3-8(4-6-9)7-10(12-14)11(13)16-2/h3-6,10,12,14H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate?
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 10955237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).