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

C10H16F2N2O5 — CID 15523897

IUPAC(2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC(F)(F)C(N)=O)C(=O)O
InChIInChI=1S/C10H16F2N2O5/c1-9(2,3)19-8(18)14-5(6(15)16)4-10(11,12)7(13)17/h5H,4H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)/t5-/m0/s1
InChIKeyOYMKBUIAIRZJBG-YFKPBYRVSA-N
MW282.24 g/mol
LogP0.47
Rot. Bonds5

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

(2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (PubChem CID 15523897) has the molecular formula C10H16F2N2O5 and a molecular weight of 282.24 g/mol. Its IUPAC name is (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
PubChem CID15523897
Molecular FormulaC10H16F2N2O5
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name(2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CC(F)(F)C(N)=O)C(=O)O
InChIInChI=1S/C10H16F2N2O5/c1-9(2,3)19-8(18)14-5(6(15)16)4-10(11,12)7(13)17/h5H,4H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)/t5-/m0/s1
InChIKeyOYMKBUIAIRZJBG-YFKPBYRVSA-N
XLogP0.47
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (CID 15523897) is (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is CC(C)(C)OC(=O)N[C@@H](CC(F)(F)C(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The InChIKey is OYMKBUIAIRZJBG-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H16F2N2O5/c1-9(2,3)19-8(18)14-5(6(15)16)4-10(11,12)7(13)17/h5H,4H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
(2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid has a molecular weight of 282.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 15523897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).