4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid

C14H17FN2O3 — CID 63190287

IUPAC4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
SMILESCCC1CCCN1C(=O)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c1-2-10-4-3-7-17(10)14(20)16-12-6-5-9(13(18)19)8-11(12)15/h5-6,8,10H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyHDUOVXMOKSJANB-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.93
Rot. Bonds3

About 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid

4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid (PubChem CID 63190287) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
PubChem CID63190287
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
SMILESCCC1CCCN1C(=O)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c1-2-10-4-3-7-17(10)14(20)16-12-6-5-9(13(18)19)8-11(12)15/h5-6,8,10H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyHDUOVXMOKSJANB-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-fluorobenzoic acid
CID 61207097
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
3,5-dichloro-4-[(2-ethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 82811744
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 63190019
4-[(4-ethylpiperazine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190369
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-3-fluorobenzoic acid
CID 107400146
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid (CID 63190287) is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid is CCC1CCCN1C(=O)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is HDUOVXMOKSJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-10-4-3-7-17(10)14(20)16-12-6-5-9(13(18)19)8-11(12)15/h5-6,8,10H,2-4,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid?
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 63190287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).