5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid

C14H24F3NO4 — CID 106488386

IUPAC5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid
SMILESCCCC(CCC(F)(F)F)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24F3NO4/c1-5-6-13(10(19)20,7-8-14(15,16)17)9-18-11(21)22-12(2,3)4/h5-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyHCFOEZBZIWDYAJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.72
Rot. Bonds7

About 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid

5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid (PubChem CID 106488386) has the molecular formula C14H24F3NO4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid
PubChem CID106488386
Molecular FormulaC14H24F3NO4
Molecular Weight327.34 g/mol
Exact Mass327.17
IUPAC Name5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid
SMILESCCCC(CCC(F)(F)F)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24F3NO4/c1-5-6-13(10(19)20,7-8-14(15,16)17)9-18-11(21)22-12(2,3)4/h5-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyHCFOEZBZIWDYAJ-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-methylsulfanyl-2-propylpentanoic acid
CID 106488353
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(oxan-4-ylmethyl)pentanoic acid
CID 106488403
2-(methoxymethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487684
2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
2-(cyclopropylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 106490219
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)heptanoic acid
CID 106489172

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid?
The IUPAC name of 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid (CID 106488386) is 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid is CCCC(CCC(F)(F)F)(CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid?
The InChIKey is HCFOEZBZIWDYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO4/c1-5-6-13(10(19)20,7-8-14(15,16)17)9-18-11(21)22-12(2,3)4/h5-9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid?
5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid has a molecular weight of 327.34 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylpentanoic acid is sourced from PubChem (CID 106488386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).