methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate

C15H19FN2O3 — CID 60848172

IUPACmethyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)CNC2CCCC2)c1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)10-6-7-12(16)13(8-10)18-14(19)9-17-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyPMLYHTHLLQRKCY-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.08
Rot. Bonds5

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

methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate (PubChem CID 60848172) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
PubChem CID60848172
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)CNC2CCCC2)c1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)10-6-7-12(16)13(8-10)18-14(19)9-17-11-4-2-3-5-11/h6-8,11,17H,2-5,9H2,1H3,(H,18,19)
InChIKeyPMLYHTHLLQRKCY-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 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
CID 60850707
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167
methyl 3-[(4-ethylcycloheptyl)amino]-4-fluorobenzoate
CID 65084484
methyl 3-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17454893
methyl 4-fluoro-3-(hexanoylamino)benzoate
CID 78840494
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
CID 102853789
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate?
The IUPAC name of methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate (CID 60848172) is methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate?
The canonical SMILES for methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate is COC(=O)c1ccc(F)c(NC(=O)CNC2CCCC2)c1.
What is the InChIKey of methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate?
The InChIKey is PMLYHTHLLQRKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-15(20)10-6-7-12(16)13(8-10)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 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate?
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-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 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate is sourced from PubChem (CID 60848172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).