4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid

C14H24FNO4 — CID 87771553

IUPAC4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid
SMILESCC(NC(=O)OC(C)(C)C)C(F)=CC(C(=O)O)C(C)C
InChIInChI=1S/C14H24FNO4/c1-8(2)10(12(17)18)7-11(15)9(3)16-13(19)20-14(4,5)6/h7-10H,1-6H3,(H,16,19)(H,17,18)
InChIKeyYILXYROHAHKRGW-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.11
Rot. Bonds5

About 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid

4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid (PubChem CID 87771553) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid.

Molecular Properties

Compound Name4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid
PubChem CID87771553
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid
SMILESCC(NC(=O)OC(C)(C)C)C(F)=CC(C(=O)O)C(C)C
InChIInChI=1S/C14H24FNO4/c1-8(2)10(12(17)18)7-11(15)9(3)16-13(19)20-14(4,5)6/h7-10H,1-6H3,(H,16,19)(H,17,18)
InChIKeyYILXYROHAHKRGW-UHFFFAOYSA-N
XLogP3.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic 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 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid?
The IUPAC name of 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid (CID 87771553) is 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid.
What is the SMILES notation for 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid?
The canonical SMILES for 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid is CC(NC(=O)OC(C)(C)C)C(F)=CC(C(=O)O)C(C)C.
What is the InChIKey of 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid?
The InChIKey is YILXYROHAHKRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-8(2)10(12(17)18)7-11(15)9(3)16-13(19)20-14(4,5)6/h7-10H,1-6H3,(H,16,19)(H,17,18).
What are the key properties of 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid?
4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid has a molecular weight of 289.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhex-3-enoic acid is sourced from PubChem (CID 87771553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).