[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid

C15H21FN2O5 — CID 67985504

IUPAC[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid
SMILESCC(O)(Cc1cc(NC(=O)O)ccc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O5/c1-14(2,3)23-13(21)18-15(4,22)8-9-7-10(17-12(19)20)5-6-11(9)16/h5-7,17,22H,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJJUCOIYJKJANMD-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.69
Rot. Bonds4

About [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid

[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid (PubChem CID 67985504) has the molecular formula C15H21FN2O5 and a molecular weight of 328.34 g/mol. Its IUPAC name is [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid
PubChem CID67985504
Molecular FormulaC15H21FN2O5
Molecular Weight328.34 g/mol
Exact Mass328.14
IUPAC Name[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid
SMILESCC(O)(Cc1cc(NC(=O)O)ccc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21FN2O5/c1-14(2,3)23-13(21)18-15(4,22)8-9-7-10(17-12(19)20)5-6-11(9)16/h5-7,17,22H,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyJJUCOIYJKJANMD-UHFFFAOYSA-N
XLogP2.69
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid?
The IUPAC name of [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid (CID 67985504) is [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid.
What is the SMILES notation for [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid?
The canonical SMILES for [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid is CC(O)(Cc1cc(NC(=O)O)ccc1F)NC(=O)OC(C)(C)C.
What is the InChIKey of [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid?
The InChIKey is JJUCOIYJKJANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O5/c1-14(2,3)23-13(21)18-15(4,22)8-9-7-10(17-12(19)20)5-6-11(9)16/h5-7,17,22H,8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid?
[4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid has a molecular weight of 328.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamic acid is sourced from PubChem (CID 67985504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).