2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

C10H11F2NO3 — CID 84694277

IUPAC2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESNC(Cc1cc(C(F)F)ccc1O)C(=O)O
InChIInChI=1S/C10H11F2NO3/c11-9(12)5-1-2-8(14)6(3-5)4-7(13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16)
InChIKeyPQAPVUFUFUAWTO-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid

2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (PubChem CID 84694277) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
PubChem CID84694277
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
SMILESNC(Cc1cc(C(F)F)ccc1O)C(=O)O
InChIInChI=1S/C10H11F2NO3/c11-9(12)5-1-2-8(14)6(3-5)4-7(13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16)
InChIKeyPQAPVUFUFUAWTO-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-(18F)fluoro-2-hydroxyphenyl)propanoic acid
CID 10535946
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
(2S)-2-amino-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 10081872
(2S)-2-amino-4-(3,4-dihydroxyphenyl)pentanoic acid
CID 163585625
2-amino-3-[3-(2-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 90660840
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2S)-2-amino-3-(2-fluoro-4,5-dihydroxyphenyl)propanoic acid;hydrate
CID 66764594
2-amino-3-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 117435269
2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid
CID 22326284
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid (CID 84694277) is 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is NC(Cc1cc(C(F)F)ccc1O)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
The InChIKey is PQAPVUFUFUAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-9(12)5-1-2-8(14)6(3-5)4-7(13)10(15)16/h1-3,7,9,14H,4,13H2,(H,15,16).
What are the key properties of 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid?
2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(difluoromethyl)-2-hydroxyphenyl]propanoic acid is sourced from PubChem (CID 84694277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).