4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid

C11H14FNO3 — CID 90088110

IUPAC4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid
SMILESCO[C@H](c1ccc(C(=O)O)cc1)[C@H](N)CF
InChIInChI=1S/C11H14FNO3/c1-16-10(9(13)6-12)7-2-4-8(5-3-7)11(14)15/h2-5,9-10H,6,13H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyQCJYQLPCXIQLBR-NXEZZACHSA-N
MW227.23 g/mol
LogP1.37
Rot. Bonds5

About 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid

4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid (PubChem CID 90088110) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid.

Molecular Properties

Compound Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid
PubChem CID90088110
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid
SMILESCO[C@H](c1ccc(C(=O)O)cc1)[C@H](N)CF
InChIInChI=1S/C11H14FNO3/c1-16-10(9(13)6-12)7-2-4-8(5-3-7)11(14)15/h2-5,9-10H,6,13H2,1H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyQCJYQLPCXIQLBR-NXEZZACHSA-N
XLogP1.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid?
The IUPAC name of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid (CID 90088110) is 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid.
What is the SMILES notation for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid?
The canonical SMILES for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid is CO[C@H](c1ccc(C(=O)O)cc1)[C@H](N)CF.
What is the InChIKey of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid?
The InChIKey is QCJYQLPCXIQLBR-NXEZZACHSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-16-10(9(13)6-12)7-2-4-8(5-3-7)11(14)15/h2-5,9-10H,6,13H2,1H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid?
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid has a molecular weight of 227.23 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]benzoic acid is sourced from PubChem (CID 90088110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).