2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid

C14H12FNO2 — CID 77129028

IUPAC2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18)
InChIKeyBRMHNOLUJUVYQP-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid

2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid (PubChem CID 77129028) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
PubChem CID77129028
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18)
InChIKeyBRMHNOLUJUVYQP-UHFFFAOYSA-N
XLogP2.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
CID 158720489
(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
CID 172809734
CID 172809734
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid (CID 77129028) is 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid is NC(C(=O)O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid?
The InChIKey is BRMHNOLUJUVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18).
What are the key properties of 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid?
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid has a molecular weight of 245.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid is sourced from PubChem (CID 77129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).