4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H17F2NO4 — CID 19364752

IUPAC4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(F)(F)CC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13-6(7(14)15)5-10(4,11)12/h6H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyNLNAXEQQJLNSSA-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.01
Rot. Bonds4

About 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 19364752) has the molecular formula C10H17F2NO4 and a molecular weight of 253.24 g/mol. Its IUPAC name is 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID19364752
Molecular FormulaC10H17F2NO4
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Name4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(F)(F)CC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13-6(7(14)15)5-10(4,11)12/h6H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyNLNAXEQQJLNSSA-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 19364752) is 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(F)(F)CC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is NLNAXEQQJLNSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO4/c1-9(2,3)17-8(16)13-6(7(14)15)5-10(4,11)12/h6H,5H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 253.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 19364752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).