(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid

C9H9ClFNO2 — CID 103693096

IUPAC(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1
InChIKeyGCLKAWCOMSTCGQ-MRVPVSSYSA-N
MW217.63 g/mol
LogP1.95
Rot. Bonds3

About (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid

(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid (PubChem CID 103693096) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
PubChem CID103693096
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9ClFNO2/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1
InChIKeyGCLKAWCOMSTCGQ-MRVPVSSYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(3-amino-5-fluorophenyl)propanoic acid
CID 130744383
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
(3R)-3-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoic acid
CID 124514915
1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine
CID 130061869
(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
3-acetamido-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 114453726
3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
CID 122714136
(3S)-3-amino-3-[3-(2,6-dimethylphenyl)-5-fluorophenyl]propanoic acid
CID 135366884
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-amino-3-(5-chloro-3-pyridinyl)propanoic acid
CID 84669672
(3S)-3-amino-3-[3-chloro-5-(2-methoxyethyl)phenyl]propanoic acid
CID 144557150

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid (CID 103693096) is (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid is N[C@H](CC(=O)O)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid?
The InChIKey is GCLKAWCOMSTCGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-6-1-5(2-7(11)3-6)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid?
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid has a molecular weight of 217.63 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid is sourced from PubChem (CID 103693096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).