2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride

C9H10Cl2FNO2 — CID 15926055

IUPAC2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C9H9ClFNO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChIKeyCQYQTZAYKITYMU-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride

2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride (PubChem CID 15926055) has the molecular formula C9H10Cl2FNO2 and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride
PubChem CID15926055
Molecular FormulaC9H10Cl2FNO2
Molecular Weight254.09 g/mol
Exact Mass253.01
IUPAC Name2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C9H9ClFNO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChIKeyCQYQTZAYKITYMU-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
D-Phenylalanine
CID 71567
Fenclonine
CID 4652
Dl-Phenylalanine
CID 994
p-Fluorophenylalanine
CID 4654
3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
4-Chloro-L-phenylalanine
CID 736190
(2R)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 667429
4-fluoro-L-phenylalanine
CID 716312
Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
Phenylalanine, 4-chloro-, methyl ester
CID 26532
2-Amino-2-(3-chlorophenyl)acetic acid
CID 290730

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride (CID 15926055) is 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride is Cl.NC(Cc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride?
The InChIKey is CQYQTZAYKITYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H.
What are the key properties of 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride?
2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride has a molecular weight of 254.09 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 15926055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).