5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid

C11H13F2NO3 — CID 70349078

IUPAC5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
SMILESNC(O)(CCC(F)(F)C(=O)O)c1ccccc1
InChIInChI=1S/C11H13F2NO3/c12-10(13,9(15)16)6-7-11(14,17)8-4-2-1-3-5-8/h1-5,17H,6-7,14H2,(H,15,16)
InChIKeyLCWPLVCUQSVLDN-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.29
Rot. Bonds5

About 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid

5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid (PubChem CID 70349078) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid.

Molecular Properties

Compound Name5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
PubChem CID70349078
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid
SMILESNC(O)(CCC(F)(F)C(=O)O)c1ccccc1
InChIInChI=1S/C11H13F2NO3/c12-10(13,9(15)16)6-7-11(14,17)8-4-2-1-3-5-8/h1-5,17H,6-7,14H2,(H,15,16)
InChIKeyLCWPLVCUQSVLDN-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.29
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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Related Compounds

1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
3-amino-3-fluoro-3-phenylpropanoic acid
CID 70119965
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CID 69365338
1-amino-4-(2-methoxyethoxy)-1-phenylbutan-1-ol
CID 19098989
2,2-difluoro-2-phenylacetic acid;silver
CID 87172236
(2S)-2,5-diamino-2-phenylpentanoic acid
CID 7141907
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
2,5-diamino-2-phenylpentanoic acid;dihydrochloride
CID 17389596
2,2-difluoro-18-phenyloctadecanoic acid
CID 67701072
2,2-difluoro-14-phenyltetradecanoic acid
CID 67700090

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid?
The IUPAC name of 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid (CID 70349078) is 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid.
What is the SMILES notation for 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid?
The canonical SMILES for 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid is NC(O)(CCC(F)(F)C(=O)O)c1ccccc1.
What is the InChIKey of 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid?
The InChIKey is LCWPLVCUQSVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c12-10(13,9(15)16)6-7-11(14,17)8-4-2-1-3-5-8/h1-5,17H,6-7,14H2,(H,15,16).
What are the key properties of 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid?
5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid has a molecular weight of 245.22 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-difluoro-5-hydroxy-5-phenylpentanoic acid is sourced from PubChem (CID 70349078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).