(2-amino-5-fluorophenoxy)-propylcarbamic acid

C10H13FN2O3 — CID 87387732

IUPAC(2-amino-5-fluorophenoxy)-propylcarbamic acid
SMILESCCCN(Oc1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-2-5-13(10(14)15)16-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,12H2,1H3,(H,14,15)
InChIKeyUKOVJCGMELJTGX-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.09
Rot. Bonds4

About (2-amino-5-fluorophenoxy)-propylcarbamic acid

(2-amino-5-fluorophenoxy)-propylcarbamic acid (PubChem CID 87387732) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is (2-amino-5-fluorophenoxy)-propylcarbamic acid.

Molecular Properties

Compound Name(2-amino-5-fluorophenoxy)-propylcarbamic acid
PubChem CID87387732
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name(2-amino-5-fluorophenoxy)-propylcarbamic acid
SMILESCCCN(Oc1cc(F)ccc1N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-2-5-13(10(14)15)16-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,12H2,1H3,(H,14,15)
InChIKeyUKOVJCGMELJTGX-UHFFFAOYSA-N
XLogP2.09
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-amino-5-fluorophenoxy)-propylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenoxy)-propylcarbamic acid?
The IUPAC name of (2-amino-5-fluorophenoxy)-propylcarbamic acid (CID 87387732) is (2-amino-5-fluorophenoxy)-propylcarbamic acid.
What is the SMILES notation for (2-amino-5-fluorophenoxy)-propylcarbamic acid?
The canonical SMILES for (2-amino-5-fluorophenoxy)-propylcarbamic acid is CCCN(Oc1cc(F)ccc1N)C(=O)O.
What is the InChIKey of (2-amino-5-fluorophenoxy)-propylcarbamic acid?
The InChIKey is UKOVJCGMELJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-2-5-13(10(14)15)16-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5,12H2,1H3,(H,14,15).
What are the key properties of (2-amino-5-fluorophenoxy)-propylcarbamic acid?
(2-amino-5-fluorophenoxy)-propylcarbamic acid has a molecular weight of 228.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenoxy)-propylcarbamic acid is sourced from PubChem (CID 87387732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).