(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid

C8H9NO2 — CID 71751620

IUPAC(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
SMILES[2H]c1c([2H])c([2H])c([C@@H](N)C(=O)O)c([2H])c1[2H]
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1D,2D,3D,4D,5D
InChIKeyZGUNAGUHMKGQNY-MWQKFOQQSA-N
MW156.20 g/mol
LogP0.77
Rot. Bonds2

About (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid

(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid (PubChem CID 71751620) has the molecular formula C8H9NO2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
PubChem CID71751620
Molecular FormulaC8H9NO2
Molecular Weight156.20 g/mol
Exact Mass156.09
IUPAC Name(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid
SMILES[2H]c1c([2H])c([2H])c([C@@H](N)C(=O)O)c([2H])c1[2H]
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1D,2D,3D,4D,5D
InChIKeyZGUNAGUHMKGQNY-MWQKFOQQSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 172809734
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2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(2S)-2-amino-2-(4-sulfophenyl)acetic acid
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2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
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2,3,4,5-tetradeuteriobenzoic acid
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5-[(S)-amino(carboxy)methyl]-2-chlorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid (CID 71751620) is (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid is [2H]c1c([2H])c([2H])c([C@@H](N)C(=O)O)c([2H])c1[2H].
What is the InChIKey of (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid?
The InChIKey is ZGUNAGUHMKGQNY-MWQKFOQQSA-N. The full InChI is InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1D,2D,3D,4D,5D.
What are the key properties of (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid?
(2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid has a molecular weight of 156.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid is sourced from PubChem (CID 71751620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).