2-amino-2,3,3-trideuterio-3-phenylpropanoic acid

C9H11NO2 — CID 134866153

IUPAC2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
SMILES[2H]C(N)(C(=O)O)C([2H])([2H])c1ccccc1
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i6D2,8D
InChIKeyCOLNVLDHVKWLRT-OJYSAGIRSA-N
MW168.21 g/mol
LogP0.64
Rot. Bonds3

About 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid

2-amino-2,3,3-trideuterio-3-phenylpropanoic acid (PubChem CID 134866153) has the molecular formula C9H11NO2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
PubChem CID134866153
Molecular FormulaC9H11NO2
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
SMILES[2H]C(N)(C(=O)O)C([2H])([2H])c1ccccc1
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i6D2,8D
InChIKeyCOLNVLDHVKWLRT-OJYSAGIRSA-N
XLogP0.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2,3,3-trideuterio-3-(4-hydroxyphenyl)propanoic acid
CID 169045187
(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
CID 135899988
(2R)-2-amino-2,3,3-trideuterio-3-(3-deuterio-4-hydroxyphenyl)propanoic acid
CID 46200028
(2S,3S)-2-amino-2,3-dideuterio-3-(3-hydroxyphenyl)propanoic acid;methane
CID 146032243
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;aniline
CID 159455369
2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid?
The IUPAC name of 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid (CID 134866153) is 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid is [2H]C(N)(C(=O)O)C([2H])([2H])c1ccccc1.
What is the InChIKey of 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid?
The InChIKey is COLNVLDHVKWLRT-OJYSAGIRSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i6D2,8D.
What are the key properties of 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid?
2-amino-2,3,3-trideuterio-3-phenylpropanoic acid has a molecular weight of 168.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3-trideuterio-3-phenylpropanoic acid is sourced from PubChem (CID 134866153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).