2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid

C10H12FNO2 — CID 135221495

IUPAC2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid
SMILESO=C(O)CNC[C@@H](F)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-9(6-12-7-10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyPWZHNEHYJNXGGL-SECBINFHSA-N
MW197.21 g/mol
LogP1.37
Rot. Bonds5

About 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid

2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid (PubChem CID 135221495) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid
PubChem CID135221495
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid
SMILESO=C(O)CNC[C@@H](F)c1ccccc1
InChIInChI=1S/C10H12FNO2/c11-9(6-12-7-10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)/t9-/m1/s1
InChIKeyPWZHNEHYJNXGGL-SECBINFHSA-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

6-fluoro-6-phenylhexanoic acid
CID 70054294
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]butanoic acid
CID 103238121
2-[[(R)-fluoro(phenyl)methoxy]carbonylamino]acetic acid
CID 66789213
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid
CID 160746773
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
CID 82315419
2-[(2-hydroxy-2-phenylethyl)amino]-N,N-diphenylacetamide
CID 140529749
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
4-[(2-fluoro-2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 166275594
ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
CID 43393105
2-(4-aminobutylamino)acetic acid;2-[[(1S)-1-phenylethyl]amino]acetic acid
CID 66713407

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid (CID 135221495) is 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid is O=C(O)CNC[C@@H](F)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid?
The InChIKey is PWZHNEHYJNXGGL-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9(6-12-7-10(13)14)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid?
2-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic 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-[[(2S)-2-fluoro-2-phenylethyl]amino]acetic acid is sourced from PubChem (CID 135221495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).