2-amino-2-deuterio-2-phenylacetic acid

C8H9NO2 — CID 165358860

IUPAC2-amino-2-deuterio-2-phenylacetic acid
SMILES[2H]C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/i7D
InChIKeyZGUNAGUHMKGQNY-WHRKIXHSSA-N
MW152.17 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-2-deuterio-2-phenylacetic acid

2-amino-2-deuterio-2-phenylacetic acid (PubChem CID 165358860) has the molecular formula C8H9NO2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-amino-2-deuterio-2-phenylacetic acid.

Molecular Properties

Compound Name2-amino-2-deuterio-2-phenylacetic acid
PubChem CID165358860
Molecular FormulaC8H9NO2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name2-amino-2-deuterio-2-phenylacetic acid
SMILES[2H]C(N)(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/i7D
InChIKeyZGUNAGUHMKGQNY-WHRKIXHSSA-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 ≤ 500152.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
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2-amino-2-phenylacetic acid;benzene
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CID 172809734
CID 172809734
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
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2-amino-2-phenylacetic acid;carbamic acid
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2-amino-3-hydroxy-3-phenylpropanoic acid
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(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
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2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
2-phenylpropanedioic acid;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-deuterio-2-phenylacetic acid?
The IUPAC name of 2-amino-2-deuterio-2-phenylacetic acid (CID 165358860) is 2-amino-2-deuterio-2-phenylacetic acid.
What is the SMILES notation for 2-amino-2-deuterio-2-phenylacetic acid?
The canonical SMILES for 2-amino-2-deuterio-2-phenylacetic acid is [2H]C(N)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-2-deuterio-2-phenylacetic acid?
The InChIKey is ZGUNAGUHMKGQNY-WHRKIXHSSA-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)/i7D.
What are the key properties of 2-amino-2-deuterio-2-phenylacetic acid?
2-amino-2-deuterio-2-phenylacetic acid has a molecular weight of 152.17 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 2-amino-2-deuterio-2-phenylacetic acid is sourced from PubChem (CID 165358860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).