2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H17F3N2O3 — CID 79798571

IUPAC2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNCC(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-14-5-6(2)7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNIMOJHLRDRKGSG-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.75
Rot. Bonds6

About 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798571) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798571
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCNCC(C)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-4-14-5-6(2)7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyNIMOJHLRDRKGSG-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-2-methylbutanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80544124
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 64700346
2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 113251121
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
2-[3-(ethylamino)butanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799110
2-(2-acetamidopropanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795488
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 62851658
2-ethyl-2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]butanoic acid
CID 115430382
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
2-[2-(aminomethyl)pentanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798389
3,3,3-trifluoro-2-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 79788617
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798571) is 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CCNCC(C)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is NIMOJHLRDRKGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-14-5-6(2)7(16)15-9(3,8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).