(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid

C9H11NO2 — CID 135899988

IUPAC(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
SMILES[2H][C@H](c1ccccc1)[C@@]([2H])(N)C(=O)O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i6D,8D/t6-,8-
InChIKeyCOLNVLDHVKWLRT-HIKWZPMTSA-N
MW167.20 g/mol
LogP0.64
Rot. Bonds3

About (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid

(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid (PubChem CID 135899988) has the molecular formula C9H11NO2 and a molecular weight of 167.20 g/mol. Its IUPAC name is (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
PubChem CID135899988
Molecular FormulaC9H11NO2
Molecular Weight167.20 g/mol
Exact Mass167.09
IUPAC Name(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid
SMILES[2H][C@H](c1ccccc1)[C@@]([2H])(N)C(=O)O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1/i6D,8D/t6-,8-
InChIKeyCOLNVLDHVKWLRT-HIKWZPMTSA-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 ≤ 500167.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2,3,3-trideuterio-3-phenylpropanoic acid
CID 134866153
(2S,3S)-2-amino-2,3-dideuterio-3-(3-hydroxyphenyl)propanoic acid;methane
CID 146032243
(2R)-2-amino-2,3-dideuterio-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acid
CID 119076949
(2S)-2-amino-2,3,3-trideuterio-3-(4-hydroxyphenyl)propanoic acid
CID 169045187
(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
methyl (2S,3R)-2-acetamido-2,3-dideuterio-3-phenylpropanoate
CID 11368070

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid (CID 135899988) is (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid is [2H][C@H](c1ccccc1)[C@@]([2H])(N)C(=O)O.
What is the InChIKey of (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid?
The InChIKey is COLNVLDHVKWLRT-HIKWZPMTSA-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)/t8-/m1/s1/i6D,8D/t6-,8-.
What are the key properties of (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid?
(2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid has a molecular weight of 167.20 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 (2R,3R)-2-amino-2,3-dideuterio-3-phenylpropanoic acid is sourced from PubChem (CID 135899988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).