(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid

C11H15NO4 — CID 40616340

IUPAC(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](N)C(=O)O)c1OC
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-4-7(10(9)16-2)6-8(12)11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJVBIWFOSWSUQAY-QMMMGPOBSA-N
MW225.24 g/mol
LogP0.66
Rot. Bonds5

About (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid

(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid (PubChem CID 40616340) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
PubChem CID40616340
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](N)C(=O)O)c1OC
InChIInChI=1S/C11H15NO4/c1-15-9-5-3-4-7(10(9)16-2)6-8(12)11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyJVBIWFOSWSUQAY-QMMMGPOBSA-N
XLogP0.66
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-acetyloxy-3-methoxyphenyl)-2-aminopropanoic acid
CID 170879571
2-amino-3-[3-methoxy-2-(2-methoxyethoxy)phenyl]propanoic acid
CID 54846591
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
(2S)-2-amino-3-[3-methoxy-2-(2-phenylethoxy)phenyl]propanoic acid
CID 54555113
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-amino-3-[2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117411854
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
2-amino-3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid
CID 117426358
2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
CID 142339146

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid (CID 40616340) is (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid is COc1cccc(C[C@H](N)C(=O)O)c1OC.
What is the InChIKey of (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid?
The InChIKey is JVBIWFOSWSUQAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-5-3-4-7(10(9)16-2)6-8(12)11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid?
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 40616340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).