(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid

C9H10FNO4 — CID 87566865

IUPAC(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid
SMILESO=C(O)[C@](F)(Cc1ccccc1)N(O)O
InChIInChI=1S/C9H10FNO4/c10-9(8(12)13,11(14)15)6-7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13)/t9-/m0/s1
InChIKeyUOOGNCAZDRBXTK-VIFPVBQESA-N
MW215.18 g/mol
LogP1.06
Rot. Bonds4

About (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid

(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid (PubChem CID 87566865) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid
PubChem CID87566865
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid
SMILESO=C(O)[C@](F)(Cc1ccccc1)N(O)O
InChIInChI=1S/C9H10FNO4/c10-9(8(12)13,11(14)15)6-7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13)/t9-/m0/s1
InChIKeyUOOGNCAZDRBXTK-VIFPVBQESA-N
XLogP1.06
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid
CID 87963950
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
4,4-difluoro-3-oxo-5-phenylpentanoic acid
CID 118342949
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid (CID 87566865) is (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid is O=C(O)[C@](F)(Cc1ccccc1)N(O)O.
What is the InChIKey of (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid?
The InChIKey is UOOGNCAZDRBXTK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10FNO4/c10-9(8(12)13,11(14)15)6-7-4-2-1-3-5-7/h1-5,14-15H,6H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid?
(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid has a molecular weight of 215.18 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid is sourced from PubChem (CID 87566865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).