2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid

C14H18FNO2 — CID 64920642

IUPAC2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
SMILESCC1CCC(Nc2c(F)cccc2C(=O)O)C1C
InChIInChI=1S/C14H18FNO2/c1-8-6-7-12(9(8)2)16-13-10(14(17)18)4-3-5-11(13)15/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJBZIPKZOGPWZTQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.37
Rot. Bonds3

About 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid

2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid (PubChem CID 64920642) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
PubChem CID64920642
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid
SMILESCC1CCC(Nc2c(F)cccc2C(=O)O)C1C
InChIInChI=1S/C14H18FNO2/c1-8-6-7-12(9(8)2)16-13-10(14(17)18)4-3-5-11(13)15/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyJBZIPKZOGPWZTQ-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[(3-methyloxan-4-yl)amino]benzoic acid
CID 114241094
2-[(2,3-dimethylcyclopentyl)amino]-6-fluorobenzoic acid
CID 79511448
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-[(2,3-dimethylcyclopentyl)amino]-5-fluorobenzoic acid
CID 64922679
3-bromo-2-[(2,3-dimethylcyclopentyl)carbamoylamino]benzoic acid
CID 64923038
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
2-(chloroamino)-3-fluorobenzoic acid
CID 139823776
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522
1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
CID 64907121
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187
3-amino-2-[(2,4-dimethylcyclohexyl)amino]benzoic acid
CID 112579046
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid (CID 64920642) is 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid is CC1CCC(Nc2c(F)cccc2C(=O)O)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid?
The InChIKey is JBZIPKZOGPWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-8-6-7-12(9(8)2)16-13-10(14(17)18)4-3-5-11(13)15/h3-5,8-9,12,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid?
2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclopentyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 64920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).