3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid

C13H15FN2O3 — CID 79513281

IUPAC3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
SMILESNC(=O)c1c(F)cccc1N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c14-9-2-1-3-10(12(9)13(15)19)16(8-4-5-8)7-6-11(17)18/h1-3,8H,4-7H2,(H2,15,19)(H,17,18)
InChIKeyKHAFZRWRYFPHTG-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.37
Rot. Bonds6

About 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid

3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid (PubChem CID 79513281) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
PubChem CID79513281
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
SMILESNC(=O)c1c(F)cccc1N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H15FN2O3/c14-9-2-1-3-10(12(9)13(15)19)16(8-4-5-8)7-6-11(17)18/h1-3,8H,4-7H2,(H2,15,19)(H,17,18)
InChIKeyKHAFZRWRYFPHTG-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2-carbamoyl-N-cyclopropylanilino)propanoic acid
CID 114880062
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
CID 79523206
2-[2-cyanoethyl(cyclopropyl)amino]-6-fluorobenzoic acid
CID 114065219
3-(N-cyclopropyl-2-sulfamoylanilino)propanoic acid
CID 54926117
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
2-[cyclohexyl(2-hydroxyethyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79517334
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
3-[N-(cyclopropanecarbonyl)-2-fluoroanilino]propanoic acid
CID 28764280
3-(N-(4,4-dimethylcyclohexyl)-2-methylanilino)propanoic acid
CID 65059613
CID 161042703
CID 161042703

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid?
The IUPAC name of 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid (CID 79513281) is 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid.
What is the SMILES notation for 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid?
The canonical SMILES for 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid is NC(=O)c1c(F)cccc1N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid?
The InChIKey is KHAFZRWRYFPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-2-1-3-10(12(9)13(15)19)16(8-4-5-8)7-6-11(17)18/h1-3,8H,4-7H2,(H2,15,19)(H,17,18).
What are the key properties of 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid?
3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid is sourced from PubChem (CID 79513281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).