(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid

C11H15NO5 — CID 92975262

IUPAC(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
SMILESCOc1ccc([C@H](O)[C@@H](N)C(=O)O)cc1OC
InChIInChI=1S/C11H15NO5/c1-16-7-4-3-6(5-8(7)17-2)10(13)9(12)11(14)15/h3-5,9-10,13H,12H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyZKPVWZDNDNCTBB-ZJUUUORDSA-N
MW241.24 g/mol
LogP0.15
Rot. Bonds5

About (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid

(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid (PubChem CID 92975262) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
PubChem CID92975262
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
SMILESCOc1ccc([C@H](O)[C@@H](N)C(=O)O)cc1OC
InChIInChI=1S/C11H15NO5/c1-16-7-4-3-6(5-8(7)17-2)10(13)9(12)11(14)15/h3-5,9-10,13H,12H2,1-2H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyZKPVWZDNDNCTBB-ZJUUUORDSA-N
XLogP0.15
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(2S,3R)-2-amino-3-(3,4-dibutoxyphenyl)-3-hydroxypropanoic acid
CID 118267847
methyl 3-amino-4-(3,4-dimethoxyphenyl)-4-hydroxybutanoate
CID 82348525
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
4-amino-4-(3,4-dimethoxyphenyl)-2-methylbutanoic acid
CID 116938376
methyl 4-amino-5-(3,4-dimethoxyphenyl)-5-hydroxypentanoate
CID 82348535
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid?
The IUPAC name of (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid (CID 92975262) is (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid is COc1ccc([C@H](O)[C@@H](N)C(=O)O)cc1OC.
What is the InChIKey of (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid?
The InChIKey is ZKPVWZDNDNCTBB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15NO5/c1-16-7-4-3-6(5-8(7)17-2)10(13)9(12)11(14)15/h3-5,9-10,13H,12H2,1-2H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid?
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 92975262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).