methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate

C15H19FN2O3 — CID 60850707

IUPACmethyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)CNC1CCCC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)12-8-10(16)6-7-13(12)18-14(19)9-17-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyJHOYOSGNGWAYOU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.08
Rot. Bonds5

About methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate

methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate (PubChem CID 60850707) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
PubChem CID60850707
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)CNC1CCCC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)12-8-10(16)6-7-13(12)18-14(19)9-17-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyJHOYOSGNGWAYOU-UHFFFAOYSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
N-(2-cyano-4-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 82015810
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate?
The IUPAC name of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate (CID 60850707) is methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NC(=O)CNC1CCCC1.
What is the InChIKey of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate?
The InChIKey is JHOYOSGNGWAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-15(20)12-8-10(16)6-7-13(12)18-14(19)9-17-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H,18,19).
What are the key properties of methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate?
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate has a molecular weight of 294.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate is sourced from PubChem (CID 60850707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).