(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid

C10H12FNO2 — CID 93279972

IUPAC(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCN[C@](C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-10(12-2,9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyLMLSKILGGKUKBM-JTQLQIEISA-N
MW197.21 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid

(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid (PubChem CID 93279972) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
PubChem CID93279972
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid
SMILESCN[C@](C)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H12FNO2/c1-10(12-2,9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyLMLSKILGGKUKBM-JTQLQIEISA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-fluorophenyl)-2-(2-hydroxypropylamino)propanoic acid
CID 114991216
2-bromo-2-(3-fluorophenyl)propanoic acid
CID 67757500
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(3-fluorophenyl)-2-phenylpropanoic acid
CID 18931684
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid (CID 93279972) is (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid is CN[C@](C)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid?
The InChIKey is LMLSKILGGKUKBM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO2/c1-10(12-2,9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid?
(2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 93279972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).