(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid

C9H11FN2O2 — CID 130648656

IUPAC(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-9(12,8(13)14)6-3-2-5(11)4-7(6)10/h2-4H,11-12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyVAAFBEWUNPGAAZ-SECBINFHSA-N
MW198.20 g/mol
LogP0.67
Rot. Bonds2

About (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid

(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid (PubChem CID 130648656) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
PubChem CID130648656
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-9(12,8(13)14)6-3-2-5(11)4-7(6)10/h2-4H,11-12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyVAAFBEWUNPGAAZ-SECBINFHSA-N
XLogP0.67
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid (CID 130648656) is (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid is C[C@](N)(C(=O)O)c1ccc(N)cc1F.
What is the InChIKey of (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid?
The InChIKey is VAAFBEWUNPGAAZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-9(12,8(13)14)6-3-2-5(11)4-7(6)10/h2-4H,11-12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid?
(2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-amino-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 130648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).