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

C9H10FNO2 — CID 738042

IUPAC(3R)-3-amino-3-(3-fluorophenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyGZNJUJNKZBHINS-MRVPVSSYSA-N
MW183.18 g/mol
LogP1.30
Rot. Bonds3

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

(3R)-3-amino-3-(3-fluorophenyl)propanoic acid (PubChem CID 738042) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-fluorophenyl)propanoic acid
PubChem CID738042
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(3R)-3-amino-3-(3-fluorophenyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyGZNJUJNKZBHINS-MRVPVSSYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(3-fluorophenyl)propanoic acid (CID 738042) is (3R)-3-amino-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(3-fluorophenyl)propanoic acid is N[C@H](CC(=O)O)c1cccc(F)c1.
What is the InChIKey of (3R)-3-amino-3-(3-fluorophenyl)propanoic acid?
The InChIKey is GZNJUJNKZBHINS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-fluorophenyl)propanoic acid?
(3R)-3-amino-3-(3-fluorophenyl)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.30, 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-fluorophenyl)propanoic acid is sourced from PubChem (CID 738042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).