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

C9H11NO3 — CID 21118764

IUPAC(2R)-2-amino-2-hydroxy-3-phenylpropanoic acid
SMILESN[C@@](O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-9(13,8(11)12)6-7-4-2-1-3-5-7/h1-5,13H,6,10H2,(H,11,12)/t9-/m1/s1
InChIKeyFOKAJXKQSPGMLN-SECBINFHSA-N
MW181.19 g/mol
LogP-0.04
Rot. Bonds3

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

(2R)-2-amino-2-hydroxy-3-phenylpropanoic acid (PubChem CID 21118764) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-hydroxy-3-phenylpropanoic acid
PubChem CID21118764
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(2R)-2-amino-2-hydroxy-3-phenylpropanoic acid
SMILESN[C@@](O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO3/c10-9(13,8(11)12)6-7-4-2-1-3-5-7/h1-5,13H,6,10H2,(H,11,12)/t9-/m1/s1
InChIKeyFOKAJXKQSPGMLN-SECBINFHSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid (CID 21118764) is (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid is N[C@@](O)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is FOKAJXKQSPGMLN-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO3/c10-9(13,8(11)12)6-7-4-2-1-3-5-7/h1-5,13H,6,10H2,(H,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid?
(2R)-2-amino-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 181.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 21118764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).