2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid

C9H9ClFNO2 — CID 43200208

IUPAC2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-7(11)6(10)4-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyHDTONRAVKRMKIJ-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.74
Rot. Bonds2

About 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid

2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid (PubChem CID 43200208) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid
PubChem CID43200208
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid
SMILESCC(N)(C(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-7(11)6(10)4-5/h2-4H,12H2,1H3,(H,13,14)
InChIKeyHDTONRAVKRMKIJ-UHFFFAOYSA-N
XLogP1.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
2-Amino-2-(3-chlorophenyl)acetic acid
CID 290730
2-Amino-2-(3-chloro-4-fluorophenyl)acetic acid
CID 2773727
3-chloro-L-phenylalanine
CID 2761492
(2S)-2-amino-2-phenylpropanoic acid
CID 853461
2-(2-Chlorophenyl)glycine
CID 290729
2-Amino-2-phenylpropanoic acid
CID 31722
2-Amino-2-phenylbutyric acid
CID 89317
3-Chloro-D-phenylalanine
CID 7009409
3-Chlorophenylalanine
CID 85680
(2S)-2-amino-2-(2-chlorophenyl)acetic acid
CID 1501937
D-(+)-(2-Chlorophenyl)glycine
CID 1515293

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The IUPAC name of 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid (CID 43200208) is 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid is CC(N)(C(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid?
The InChIKey is HDTONRAVKRMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-7(11)6(10)4-5/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid?
2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid has a molecular weight of 217.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-4-fluorophenyl)propanoic acid is sourced from PubChem (CID 43200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).