3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride

C9H11ClFNO2 — CID 2868567

IUPAC3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyWYDDUVABUITTBX-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.72
Rot. Bonds3

About 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride

3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride (PubChem CID 2868567) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride
PubChem CID2868567
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H
InChIKeyWYDDUVABUITTBX-UHFFFAOYSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Dl-Phenylalanine
CID 994
D-Phenylalanine
CID 71567
p-Fluorophenylalanine
CID 4654
L-Phenylglycine
CID 99291
2-Phenylglycine
CID 3866
3-Amino-3-(4-chlorophenyl)propanoic acid
CID 344176
L-p-Boronophenylalanine
CID 150315
Phenylglycine, D-
CID 70134
(S)-2-amino-4-phenylbutanoic acid
CID 2724505
2-Fluoro-DL-phenylglycine
CID 580073
4-fluoro-L-phenylalanine
CID 716312

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride (CID 2868567) is 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride is Cl.NC(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride?
The InChIKey is WYDDUVABUITTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H.
What are the key properties of 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride?
3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride has a molecular weight of 219.64 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-fluorophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 2868567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).