(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid

C9H11NO3 — CID 46200028

IUPAC(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid
SMILES[2H]c1cc(C([2H])([2H])[C@@]([2H])(N)C(=O)O)ccc1O
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1/i3D,5D2,8D
InChIKeyOUYCCCASQSFEME-ZGPRJQLFSA-N
MW185.22 g/mol
LogP0.35
Rot. Bonds3

About (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid

(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid (PubChem CID 46200028) has the molecular formula C9H11NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid
PubChem CID46200028
Molecular FormulaC9H11NO3
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid
SMILES[2H]c1cc(C([2H])([2H])[C@@]([2H])(N)C(=O)O)ccc1O
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1/i3D,5D2,8D
InChIKeyOUYCCCASQSFEME-ZGPRJQLFSA-N
XLogP0.35
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2,3,3-trideuterio-3-(4-hydroxyphenyl)propanoic acid
CID 169045187
2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
CID 134866153
4-(2-amino-1,1,2,3,3,3-hexadeuteriopropyl)phenol
CID 169441539
(2R)-2-amino-2-deuterio-3-(2,4,5-trideuterio-3-hydroxyphenyl)propanoic acid
CID 46200813
(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
CID 135899988
(2R)-2-amino-2,3-dideuterio-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acid
CID 119076949
deuterio (2S)-3-deuterio-3-(3-deuterio-4-deuteriooxyphenyl)-2-(dideuterioamino)propanoate
CID 46200184
(2S,3S)-2-amino-2,3-dideuterio-3-(3-hydroxyphenyl)propanoic acid;methane
CID 146032243
2-amino-2,3-dideuterio-4-(3,4-dihydroxyphenyl)butanoic acid
CID 118599343
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid (CID 46200028) is (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid is [2H]c1cc(C([2H])([2H])[C@@]([2H])(N)C(=O)O)ccc1O.
What is the InChIKey of (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid?
The InChIKey is OUYCCCASQSFEME-ZGPRJQLFSA-N. The full InChI is InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1/i3D,5D2,8D.
What are the key properties of (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid?
(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 46200028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).