5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

C10H14F3NO5 — CID 14440518

IUPAC5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC(C)OC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-5(2)19-8(17)6(3-4-7(15)16)14-9(18)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHKAKLTYCUUVMFM-UHFFFAOYSA-N
MW285.22 g/mol
LogP0.85
Rot. Bonds6

About 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (PubChem CID 14440518) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
PubChem CID14440518
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC(C)OC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO5/c1-5(2)19-8(17)6(3-4-7(15)16)14-9(18)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyHKAKLTYCUUVMFM-UHFFFAOYSA-N
XLogP0.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-5-(2,2-dimethylpropoxy)-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 71408395
dipropan-2-yl (2S)-2-[(2,2,2-trifluoroacetyl)amino]butanedioate
CID 14251837
dibutan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]pentanedioate
CID 545467
methyl (2S)-5-[[(2R)-1-methoxy-3-[[(2R)-3-methoxy-2-[[(4S)-5-methoxy-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxo-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 118855769
methyl (2S)-5-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 102385977
(4R)-4-[[(2S)-2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoyl]amino]-5-oxo-5-propan-2-yloxypentanoic acid
CID 172564867
propan-2-yl (2S)-2-acetamido-5-amino-5-oxopentanoate
CID 87112681
(4S)-5-butoxy-5-oxo-4-(2,2,3,3,3-pentafluoropropanoylamino)pentanoic acid
CID 71408409
(4R)-5-(4-methoxycarbonylanilino)-5-oxo-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 7828234
propan-2-yl (2S)-6-diazo-2-[(2-hydroxy-2-methylpropanoyl)amino]-5-oxohexanoate
CID 170443966
propan-2-yl 2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxybutanoate
CID 6430285
methyl 2-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 90995953

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (CID 14440518) is 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is CC(C)OC(=O)C(CCC(=O)O)NC(=O)C(F)(F)F.
What is the InChIKey of 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The InChIKey is HKAKLTYCUUVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-5(2)19-8(17)6(3-4-7(15)16)14-9(18)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid has a molecular weight of 285.22 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-propan-2-yloxy-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is sourced from PubChem (CID 14440518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).