(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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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).