(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid

C10H12F2NO5P — CID 87963950

IUPAC(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid
SMILESCOP(=O)(O)N(F)[C@@](F)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12F2NO5P/c1-18-19(16,17)13(12)10(11,9(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyYHUCPCSCWFPLIE-JTQLQIEISA-N
MW295.18 g/mol
LogP1.91
Rot. Bonds6

About (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid

(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid (PubChem CID 87963950) has the molecular formula C10H12F2NO5P and a molecular weight of 295.18 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid
PubChem CID87963950
Molecular FormulaC10H12F2NO5P
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Name(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid
SMILESCOP(=O)(O)N(F)[C@@](F)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12F2NO5P/c1-18-19(16,17)13(12)10(11,9(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyYHUCPCSCWFPLIE-JTQLQIEISA-N
XLogP1.91
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(dihydroxyamino)-2-fluoro-3-phenylpropanoic acid
CID 87566865
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
2,2-bis[hydroxy(methoxy)phosphoryl]-2-[[hydroxy(methoxy)phosphoryl]-phenylmethoxycarbonylamino]acetic acid
CID 73013324
2-benzyl-2-fluoro-3-oxobutanoic acid
CID 146169302
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2-fluoro-2-methylpropyl)benzene
CID 14343442
1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
CID 19758093
2-(2-methoxyethoxy)-2-methyl-3-phenylpropanoic acid
CID 114990567
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid (CID 87963950) is (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid is COP(=O)(O)N(F)[C@@](F)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid?
The InChIKey is YHUCPCSCWFPLIE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12F2NO5P/c1-18-19(16,17)13(12)10(11,9(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid?
(2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid has a molecular weight of 295.18 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[fluoro-[hydroxy(methoxy)phosphoryl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 87963950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).