4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

C7H10F3NO3 — CID 10889230

IUPAC4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(2-3-5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyCHNVYZRCRHXHLE-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.92
Rot. Bonds4

About 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (PubChem CID 10889230) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
PubChem CID10889230
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-4(2-3-5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyCHNVYZRCRHXHLE-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-trifluoronorvaline
CID 54205847
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
2-[(2,2,2-Trifluoroacetyl)amino]pentanoic acid
CID 328219
4-Acetamidohexanoic acid
CID 84109374
2-[(2,2,2-trifluoroacetyl)amino]pentanedioic Acid
CID 11265017
4-Difluoromethyl-4-(1-oxoethylamino)butyric acid
CID 13050370
5,5-Difluoro-4-[(methoxycarbonyl)amino]pentanoic acid
CID 13273324
(S)-4-(acetylamino)-5-fluoropentanoic acid, methyl ester
CID 13477555
4-Acetamido-5-fluoropentanoic acid
CID 13477558
(4S)-4-acetamido-5-fluoropentanoic acid
CID 13477559
(S)-4-(trifluoroacetylamino)-5-fluoropentanoic acid, methyl ester
CID 13477561
3-(Trifluoroacetamido)butanoic acid
CID 13880529

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (CID 10889230) is 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)C(F)(F)F.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The InChIKey is CHNVYZRCRHXHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(2-3-5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is sourced from PubChem (CID 10889230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).