3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid

C14H18FNO3 — CID 82324785

IUPAC3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-8-16(9-10(2)14(18)19)13(17)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyHYDALJAXEQJXTJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.40
Rot. Bonds6

About 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid

3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid (PubChem CID 82324785) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
PubChem CID82324785
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-8-16(9-10(2)14(18)19)13(17)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyHYDALJAXEQJXTJ-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-(dibutylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996505
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]-2-methylpropanoic acid
CID 119033249
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 115996564

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid (CID 82324785) is 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid is CCCN(CC(C)C(=O)O)C(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid?
The InChIKey is HYDALJAXEQJXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-8-16(9-10(2)14(18)19)13(17)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid?
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82324785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).