2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid

C14H16FNO4 — CID 119186702

IUPAC2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)C1CC1C(=O)O)Oc1cccc(F)c1
InChIInChI=1S/C14H16FNO4/c1-8(20-10-4-2-3-9(15)5-10)7-16-13(17)11-6-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyGURFEFSXYZAGQL-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119186702) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119186702
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(CNC(=O)C1CC1C(=O)O)Oc1cccc(F)c1
InChIInChI=1S/C14H16FNO4/c1-8(20-10-4-2-3-9(15)5-10)7-16-13(17)11-6-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyGURFEFSXYZAGQL-UHFFFAOYSA-N
XLogP1.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
(1R,2S,4R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98774987
(2S,4S)-N-[2-(3-fluorophenoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636246
3-amino-N-[2-(3-fluorophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804739
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119335633
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenoxy)propyl]oxolane-2-carboxamide
CID 120795026
N-[2-(3-fluorophenoxy)propyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 154766090
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119186702) is 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid is CC(CNC(=O)C1CC1C(=O)O)Oc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GURFEFSXYZAGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-8(20-10-4-2-3-9(15)5-10)7-16-13(17)11-6-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119186702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).