(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid

C10H13NO4 — CID 66661517

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid
SMILESCOC(c1ccc(O)cc1)[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyGGCZGJOSDPRIIM-IENPIDJESA-N
MW211.22 g/mol
LogP0.49
Rot. Bonds4

About (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid

(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid (PubChem CID 66661517) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid
PubChem CID66661517
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid
SMILESCOC(c1ccc(O)cc1)[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyGGCZGJOSDPRIIM-IENPIDJESA-N
XLogP0.49
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-Tyrosine
CID 6057
Droxidopa
CID 92974
3-Iodo-L-Tyrosine
CID 439744
D-Tyrosine
CID 71098
DL-Tyrosine
CID 1153
O-Methyl-L-Tyrosine
CID 2723935
3-fluoro-DL-tyrosine
CID 92100
3-Fluoro-L-tyrosine
CID 643330
Monoiodo-tyrosine
CID 6918986
(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoate
CID 6942100
Tyrosine ethyl ester hydrochloride
CID 2724939
Tyrosine Methyl Ester
CID 70652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid (CID 66661517) is (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid is COC(c1ccc(O)cc1)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid?
The InChIKey is GGCZGJOSDPRIIM-IENPIDJESA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-9(8(11)10(13)14)6-2-4-7(12)5-3-6/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid?
(2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-3-methoxypropanoic acid is sourced from PubChem (CID 66661517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).