3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid

C10H12FNO3 — CID 171258454

IUPAC3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCC[C@@H](N)c1cc(F)cc(C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-2-8(12)6-3-5(11)4-7(9(6)13)10(14)15/h3-4,8,13H,2,12H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyGZZXYVIPKDVSPM-MRVPVSSYSA-N
MW213.21 g/mol
LogP1.64
Rot. Bonds3

About 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid

3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid (PubChem CID 171258454) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid
PubChem CID171258454
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid
SMILESCC[C@@H](N)c1cc(F)cc(C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-2-8(12)6-3-5(11)4-7(9(6)13)10(14)15/h3-4,8,13H,2,12H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyGZZXYVIPKDVSPM-MRVPVSSYSA-N
XLogP1.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258455
3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258458
3-[(1S)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]-5-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258464
3-(1,3-diphenylbutyl)-5-fluoro-2-hydroxybenzoic acid
CID 139749469
4-amino-2-(1-aminopropyl)benzoic acid
CID 130001366
3-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoic acid
CID 53417356
ethyl (3S)-3-amino-3-(5-fluoro-2-hydroxy-3-methylphenyl)propanoate
CID 171225009
3-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-hydroxybenzoic acid
CID 139841985
ethyl (3R)-3-amino-3-(5-fluoro-2-hydroxy-3-methylphenyl)propanoate;hydrochloride
CID 171205437
(1S)-1-[2-(difluoromethyl)-5-fluorophenyl]propan-1-amine
CID 130631832
2-[(1S)-1-aminopropyl]-4-chloro-6-fluorophenol;hydrochloride
CID 171255924
2-[(1S)-1-aminopropyl]-6-fluoro-4-nitrophenol
CID 131529653

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid?
The IUPAC name of 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid (CID 171258454) is 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid is CC[C@@H](N)c1cc(F)cc(C(=O)O)c1O.
What is the InChIKey of 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid?
The InChIKey is GZZXYVIPKDVSPM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-8(12)6-3-5(11)4-7(9(6)13)10(14)15/h3-4,8,13H,2,12H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid?
3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid is sourced from PubChem (CID 171258454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).