2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid

C14H18FN3O3 — CID 83205781

IUPAC2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
SMILESCC1CCC(C(N)=O)CN1c1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C14H18FN3O3/c1-7-2-3-8(13(17)19)6-18(7)10-5-4-9(15)12(16)11(10)14(20)21/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19)(H,20,21)
InChIKeyGNKNCDKVFJIHNF-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid

2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid (PubChem CID 83205781) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
PubChem CID83205781
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
SMILESCC1CCC(C(N)=O)CN1c1ccc(F)c(N)c1C(=O)O
InChIInChI=1S/C14H18FN3O3/c1-7-2-3-8(13(17)19)6-18(7)10-5-4-9(15)12(16)11(10)14(20)21/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19)(H,20,21)
InChIKeyGNKNCDKVFJIHNF-UHFFFAOYSA-N
XLogP1.20
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 79513892
2-amino-3-fluoro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 83207204
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
CID 66064522
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
2-amino-6-(4-aminopiperidin-1-yl)-3-fluorobenzoic acid
CID 83215108
2-(2,5-dimethylpiperidin-1-yl)-6-fluorobenzoic acid
CID 79511024
1-(5-amino-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxamide
CID 82235443
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 78935524
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 63368743

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid (CID 83205781) is 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid is CC1CCC(C(N)=O)CN1c1ccc(F)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid?
The InChIKey is GNKNCDKVFJIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-7-2-3-8(13(17)19)6-18(7)10-5-4-9(15)12(16)11(10)14(20)21/h4-5,7-8H,2-3,6,16H2,1H3,(H2,17,19)(H,20,21).
What are the key properties of 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid?
2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid has a molecular weight of 295.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 83205781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).