(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid

C11H15NO4S — CID 131858350

IUPAC(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
SMILESCOc1ccc(CS(=O)C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-16-9-4-2-8(3-5-9)6-17(15)7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-,17?/m0/s1
InChIKeyQCJDNLVTMDOYBN-YOZOHBORSA-N
MW257.31 g/mol
LogP0.36
Rot. Bonds6

About (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid

(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid (PubChem CID 131858350) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
PubChem CID131858350
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
SMILESCOc1ccc(CS(=O)C[C@H](N)C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-16-9-4-2-8(3-5-9)6-17(15)7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-,17?/m0/s1
InChIKeyQCJDNLVTMDOYBN-YOZOHBORSA-N
XLogP0.36
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982599
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid
CID 60982858
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
CID 7009563
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
2-amino-4-[(4-methoxyphenyl)methyl]pentanedioic acid
CID 53396139
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
CID 134819868
(2S)-2-amino-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanoic acid
CID 162650291
(2R)-2-amino-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 10867909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid (CID 131858350) is (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid is COc1ccc(CS(=O)C[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid?
The InChIKey is QCJDNLVTMDOYBN-YOZOHBORSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-9-4-2-8(3-5-9)6-17(15)7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-,17?/m0/s1.
What are the key properties of (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid?
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]propanoic acid is sourced from PubChem (CID 131858350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).