5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid

C14H17FN2O3 — CID 115434908

IUPAC5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
SMILESNCC1(C(=O)Nc2ccc(F)c(C(=O)O)c2)CCCC1
InChIInChI=1S/C14H17FN2O3/c15-11-4-3-9(7-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19)
InChIKeyUUFCWCFOTLCNHU-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.98
Rot. Bonds4

About 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid

5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid (PubChem CID 115434908) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
PubChem CID115434908
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid
SMILESNCC1(C(=O)Nc2ccc(F)c(C(=O)O)c2)CCCC1
InChIInChI=1S/C14H17FN2O3/c15-11-4-3-9(7-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19)
InChIKeyUUFCWCFOTLCNHU-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-hydroxybenzoic acid
CID 115448230
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-bromobenzoic acid
CID 115448782
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
2-fluoro-5-[(2-methylthiolane-2-carbonyl)amino]benzoic acid
CID 81451508
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2,3-dimethylbenzoic acid
CID 115448528

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid?
The IUPAC name of 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid (CID 115434908) is 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid is NCC1(C(=O)Nc2ccc(F)c(C(=O)O)c2)CCCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid?
The InChIKey is UUFCWCFOTLCNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-4-3-9(7-10(11)12(18)19)17-13(20)14(8-16)5-1-2-6-14/h3-4,7H,1-2,5-6,8,16H2,(H,17,20)(H,18,19).
What are the key properties of 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid?
5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-fluorobenzoic acid is sourced from PubChem (CID 115434908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).