(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid

C13H15FN2O3 — CID 103871055

IUPAC(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
SMILESNc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-7-8(15)4-5-9(10)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6,15H2,(H,18,19)/t11-/m1/s1
InChIKeyORXRUUIDJSHRKC-LLVKDONJSA-N
MW266.27 g/mol
LogP1.49
Rot. Bonds2

About (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid

(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid (PubChem CID 103871055) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
PubChem CID103871055
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid
SMILESNc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-10-7-8(15)4-5-9(10)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6,15H2,(H,18,19)/t11-/m1/s1
InChIKeyORXRUUIDJSHRKC-LLVKDONJSA-N
XLogP1.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 103871145
(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
1-(2-bromo-5-fluorobenzoyl)azepane-2-carboxylic acid
CID 64559146
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(2-chloro-3-fluorobenzoyl)azepane-2-carboxylic acid
CID 81453685
(2R)-1-[2-(2-aminoethyl)benzoyl]piperidine-2-carboxylic acid
CID 79034919

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid (CID 103871055) is (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid is Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)c(F)c1.
What is the InChIKey of (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid?
The InChIKey is ORXRUUIDJSHRKC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-7-8(15)4-5-9(10)12(17)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6,15H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid?
(2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-amino-2-fluorobenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 103871055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).