2-(2-fluoroethylamino)-2-phenylacetic acid

C10H12FNO2 — CID 80695440

IUPAC2-(2-fluoroethylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCCF)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-6-7-12-9(10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)
InChIKeyMIWRVHBGUKULNQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds5

About 2-(2-fluoroethylamino)-2-phenylacetic acid

2-(2-fluoroethylamino)-2-phenylacetic acid (PubChem CID 80695440) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-fluoroethylamino)-2-phenylacetic acid
PubChem CID80695440
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(2-fluoroethylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCCF)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-6-7-12-9(10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)
InChIKeyMIWRVHBGUKULNQ-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
(2S)-2-[[carboxy(phenyl)methyl]amino]-2-deuterio-3-fluoropropanoic acid
CID 22792267
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
CID 79883687
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)-2-phenylacetic acid?
The IUPAC name of 2-(2-fluoroethylamino)-2-phenylacetic acid (CID 80695440) is 2-(2-fluoroethylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-fluoroethylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(2-fluoroethylamino)-2-phenylacetic acid is O=C(O)C(NCCF)c1ccccc1.
What is the InChIKey of 2-(2-fluoroethylamino)-2-phenylacetic acid?
The InChIKey is MIWRVHBGUKULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-6-7-12-9(10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14).
What are the key properties of 2-(2-fluoroethylamino)-2-phenylacetic acid?
2-(2-fluoroethylamino)-2-phenylacetic acid has a molecular weight of 197.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)-2-phenylacetic acid is sourced from PubChem (CID 80695440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).