2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid

C9H9ClFNO2 — CID 12799522

IUPAC2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
SMILESNC(C(=O)O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFNO2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,12H2,(H,13,14)
InChIKeyOABOOIZIWDHJQG-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid

2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid (PubChem CID 12799522) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
PubChem CID12799522
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
SMILESNC(C(=O)O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClFNO2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,12H2,(H,13,14)
InChIKeyOABOOIZIWDHJQG-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
2-amino-3-(4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 53402028
2-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
potassium (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 101446310
(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
(2S)-2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 70537702
(2R,3R)-2-amino-3-(4-chlorophenyl)-5-ethoxy-5-oxopentanoic acid
CID 10827030
2-amino-3-chloro-3-fluoropropanoic acid
CID 18523013

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid (CID 12799522) is 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid is NC(C(=O)O)C(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid?
The InChIKey is OABOOIZIWDHJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,12H2,(H,13,14).
What are the key properties of 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid?
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid has a molecular weight of 217.63 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid is sourced from PubChem (CID 12799522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).