5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid

C11H18F3NO4 — CID 50986501

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
SMILESCC(C)(C)OC(=O)NCCC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-10(2,3)19-9(18)15-5-4-7(6-8(16)17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVBVHGWGVTGSANP-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.55
Rot. Bonds5

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid (PubChem CID 50986501) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
PubChem CID50986501
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
SMILESCC(C)(C)OC(=O)NCCC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-10(2,3)19-9(18)15-5-4-7(6-8(16)17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVBVHGWGVTGSANP-UHFFFAOYSA-N
XLogP2.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopent-3-ene-1-carbonyl]amino]-3-(trifluoromethyl)pentanoic acid
CID 167806558
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 123459730
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[4,4,4-trifluoro-3-(3-methylbut-2-enoylamino)butyl]carbamate
CID 122152191
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid (CID 50986501) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid is CC(C)(C)OC(=O)NCCC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid?
The InChIKey is VBVHGWGVTGSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-10(2,3)19-9(18)15-5-4-7(6-8(16)17)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid has a molecular weight of 285.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 50986501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).