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

C9H11NO3 — CID 672407

IUPAC(2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)[C@H](O)c1ccccc1
InChIInChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m1/s1
InChIKeyVHVGNTVUSQUXPS-HTQZYQBOSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds3

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

(2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid (PubChem CID 672407) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid
PubChem CID672407
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)[C@H](O)c1ccccc1
InChIInChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m1/s1
InChIKeyVHVGNTVUSQUXPS-HTQZYQBOSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid (CID 672407) is (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid is N[C@@H](C(=O)O)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid?
The InChIKey is VHVGNTVUSQUXPS-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid?
(2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid has a molecular weight of 181.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 672407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).