2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid

C14H17FN2O4 — CID 64597623

IUPAC2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
SMILESCOCC1CCN(C(=O)Nc2cccc(F)c2C(=O)O)C1
InChIInChI=1S/C14H17FN2O4/c1-21-8-9-5-6-17(7-9)14(20)16-11-4-2-3-10(15)12(11)13(18)19/h2-4,9H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyRFRYZLKVLAQLBL-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid

2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid (PubChem CID 64597623) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
PubChem CID64597623
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
SMILESCOCC1CCN(C(=O)Nc2cccc(F)c2C(=O)O)C1
InChIInChI=1S/C14H17FN2O4/c1-21-8-9-5-6-17(7-9)14(20)16-11-4-2-3-10(15)12(11)13(18)19/h2-4,9H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyRFRYZLKVLAQLBL-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]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

Related Compounds

2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
(3S)-N-(2-benzylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 96541051
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
methyl 1-[(2-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylate
CID 47258210
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid (CID 64597623) is 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid is COCC1CCN(C(=O)Nc2cccc(F)c2C(=O)O)C1.
What is the InChIKey of 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid?
The InChIKey is RFRYZLKVLAQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-21-8-9-5-6-17(7-9)14(20)16-11-4-2-3-10(15)12(11)13(18)19/h2-4,9H,5-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid?
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid is sourced from PubChem (CID 64597623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).