propyl 2-[(3-fluorobenzoyl)-methylamino]acetate

C13H16FNO3 — CID 91711905

IUPACpropyl 2-[(3-fluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-3-7-18-12(16)9-15(2)13(17)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyRYPCDFHQFJBZFS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.85
Rot. Bonds5

About propyl 2-[(3-fluorobenzoyl)-methylamino]acetate

propyl 2-[(3-fluorobenzoyl)-methylamino]acetate (PubChem CID 91711905) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is propyl 2-[(3-fluorobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[(3-fluorobenzoyl)-methylamino]acetate
PubChem CID91711905
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Namepropyl 2-[(3-fluorobenzoyl)-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C13H16FNO3/c1-3-7-18-12(16)9-15(2)13(17)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3
InChIKeyRYPCDFHQFJBZFS-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Ethyl Hippurate
CID 226558
N-benzoyl-N-methylglycine
CID 75728
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413
N-Benzoylmorpholine
CID 15114
Hippuric acid, monosodium salt
CID 516953
N,N-Dibutylbenzamide
CID 32774
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
Cyclohexyl (benzoylamino)acetate
CID 672410

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(3-fluorobenzoyl)-methylamino]acetate?
The IUPAC name of propyl 2-[(3-fluorobenzoyl)-methylamino]acetate (CID 91711905) is propyl 2-[(3-fluorobenzoyl)-methylamino]acetate.
What is the SMILES notation for propyl 2-[(3-fluorobenzoyl)-methylamino]acetate?
The canonical SMILES for propyl 2-[(3-fluorobenzoyl)-methylamino]acetate is CCCOC(=O)CN(C)C(=O)c1cccc(F)c1.
What is the InChIKey of propyl 2-[(3-fluorobenzoyl)-methylamino]acetate?
The InChIKey is RYPCDFHQFJBZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-3-7-18-12(16)9-15(2)13(17)10-5-4-6-11(14)8-10/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of propyl 2-[(3-fluorobenzoyl)-methylamino]acetate?
propyl 2-[(3-fluorobenzoyl)-methylamino]acetate has a molecular weight of 253.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(3-fluorobenzoyl)-methylamino]acetate is sourced from PubChem (CID 91711905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).