[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate

C14H17FN2O3 — CID 62680450

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
SMILESNc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-7-9(5-6-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H,17,18)
InChIKeyYLQVWIXPXFNCIX-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.62
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate (PubChem CID 62680450) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
PubChem CID62680450
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
SMILESNc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-7-9(5-6-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H,17,18)
InChIKeyYLQVWIXPXFNCIX-UHFFFAOYSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61316994
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
[2-(cyclohexylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2370567
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate (CID 62680450) is [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate is Nc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1F.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate?
The InChIKey is YLQVWIXPXFNCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-7-9(5-6-12(11)16)14(19)20-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate has a molecular weight of 280.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate is sourced from PubChem (CID 62680450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).