2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid

C15H13F2NO3 — CID 79883687

IUPAC2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)C(NCc1cc(F)c(O)c(F)c1)c1ccccc1
InChIInChI=1S/C15H13F2NO3/c16-11-6-9(7-12(17)14(11)19)8-18-13(15(20)21)10-4-2-1-3-5-10/h1-7,13,18-19H,8H2,(H,20,21)
InChIKeyQZNVFSDSWJWRRM-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.59
Rot. Bonds5

About 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid

2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid (PubChem CID 79883687) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
PubChem CID79883687
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
SMILESO=C(O)C(NCc1cc(F)c(O)c(F)c1)c1ccccc1
InChIInChI=1S/C15H13F2NO3/c16-11-6-9(7-12(17)14(11)19)8-18-13(15(20)21)10-4-2-1-3-5-10/h1-7,13,18-19H,8H2,(H,20,21)
InChIKeyQZNVFSDSWJWRRM-UHFFFAOYSA-N
XLogP2.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-[(4-bromo-2-fluorophenyl)methylamino]-2-phenylacetic acid
CID 62110835
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
(2R)-2-[(2-fluorophenyl)methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 166226941
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2R)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120510352
(2S)-2-phenyl-2-[(3-propylphenyl)methylamino]acetic acid
CID 120511809
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid (CID 79883687) is 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid is O=C(O)C(NCc1cc(F)c(O)c(F)c1)c1ccccc1.
What is the InChIKey of 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid?
The InChIKey is QZNVFSDSWJWRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-11-6-9(7-12(17)14(11)19)8-18-13(15(20)21)10-4-2-1-3-5-10/h1-7,13,18-19H,8H2,(H,20,21).
What are the key properties of 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid?
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid has a molecular weight of 293.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid is sourced from PubChem (CID 79883687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).