(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid

C10H16FNO5 — CID 10131156

IUPAC(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)CF
InChIInChI=1S/C10H16FNO5/c1-10(2,3)17-9(16)12-6(4-8(14)15)7(13)5-11/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-/m0/s1
InChIKeyZFCIJAOAIDTUMS-LURJTMIESA-N
MW249.24 g/mol
LogP0.89
Rot. Bonds5

About (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid

(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid (PubChem CID 10131156) has the molecular formula C10H16FNO5 and a molecular weight of 249.24 g/mol. Its IUPAC name is (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
PubChem CID10131156
Molecular FormulaC10H16FNO5
Molecular Weight249.24 g/mol
Exact Mass249.10
IUPAC Name(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)CF
InChIInChI=1S/C10H16FNO5/c1-10(2,3)17-9(16)12-6(4-8(14)15)7(13)5-11/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-/m0/s1
InChIKeyZFCIJAOAIDTUMS-LURJTMIESA-N
XLogP0.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The IUPAC name of (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid (CID 10131156) is (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid.
What is the SMILES notation for (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The canonical SMILES for (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid is CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)CF.
What is the InChIKey of (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
The InChIKey is ZFCIJAOAIDTUMS-LURJTMIESA-N. The full InChI is InChI=1S/C10H16FNO5/c1-10(2,3)17-9(16)12-6(4-8(14)15)7(13)5-11/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t6-/m0/s1.
What are the key properties of (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid?
(3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid has a molecular weight of 249.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid is sourced from PubChem (CID 10131156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).