3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide

C9H16F3N3O2 — CID 114142896

IUPAC3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-7(2,4-5(13)16)15-6(17)8(3,14)9(10,11)12/h4,14H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyOGQFCOVCTSVWEP-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.04
Rot. Bonds4

About 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide

3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide (PubChem CID 114142896) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide
PubChem CID114142896
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-7(2,4-5(13)16)15-6(17)8(3,14)9(10,11)12/h4,14H2,1-3H3,(H2,13,16)(H,15,17)
InChIKeyOGQFCOVCTSVWEP-UHFFFAOYSA-N
XLogP0.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide (CID 114142896) is 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide?
The InChIKey is OGQFCOVCTSVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-7(2,4-5(13)16)15-6(17)8(3,14)9(10,11)12/h4,14H2,1-3H3,(H2,13,16)(H,15,17).
What are the key properties of 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide?
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide has a molecular weight of 255.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-3-methylbutanamide is sourced from PubChem (CID 114142896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).