(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid

C15H14FNO2 — CID 26985403

IUPAC(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
SMILESO=C(O)[C@@H](NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-13-9-5-4-8-12(13)14(15(18)19)17-10-11-6-2-1-3-7-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1
InChIKeyBFPKXUHPFGTYCO-AWEZNQCLSA-N
MW259.28 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid

(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid (PubChem CID 26985403) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
PubChem CID26985403
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
SMILESO=C(O)[C@@H](NCc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNO2/c16-13-9-5-4-8-12(13)14(15(18)19)17-10-11-6-2-1-3-7-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1
InChIKeyBFPKXUHPFGTYCO-AWEZNQCLSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657
2-(benzylamino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60991180
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-phenylacetic acid
CID 79883687
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid (CID 26985403) is (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid is O=C(O)[C@@H](NCc1ccccc1)c1ccccc1F.
What is the InChIKey of (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid?
The InChIKey is BFPKXUHPFGTYCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-9-5-4-8-12(13)14(15(18)19)17-10-11-6-2-1-3-7-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid?
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid has a molecular weight of 259.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 26985403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).