(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

C10H17FN2O5 — CID 11065306

IUPAC(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C[C@@H](F)C(N)=O)C(=O)O
InChIInChI=1S/C10H17FN2O5/c1-10(2,3)18-9(17)13-6(8(15)16)4-5(11)7(12)14/h5-6H,4H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t5-,6+/m1/s1
InChIKeyWUKLZVZAGWSHGJ-RITPCOANSA-N
MW264.25 g/mol
LogP0.18
Rot. Bonds5

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

(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (PubChem CID 11065306) has the molecular formula C10H17FN2O5 and a molecular weight of 264.25 g/mol. Its IUPAC name is (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
PubChem CID11065306
Molecular FormulaC10H17FN2O5
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](C[C@@H](F)C(N)=O)C(=O)O
InChIInChI=1S/C10H17FN2O5/c1-10(2,3)18-9(17)13-6(8(15)16)4-5(11)7(12)14/h5-6H,4H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t5-,6+/m1/s1
InChIKeyWUKLZVZAGWSHGJ-RITPCOANSA-N
XLogP0.18
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (CID 11065306) is (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is CC(C)(C)OC(=O)N[C@@H](C[C@@H](F)C(N)=O)C(=O)O.
What is the InChIKey of (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The InChIKey is WUKLZVZAGWSHGJ-RITPCOANSA-N. The full InChI is InChI=1S/C10H17FN2O5/c1-10(2,3)18-9(17)13-6(8(15)16)4-5(11)7(12)14/h5-6H,4H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
(2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid has a molecular weight of 264.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-amino-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 11065306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).