4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide

C9H14F3N3O3 — CID 83102064

IUPAC4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
SMILESCC(N)(C(=O)N1CCOCC1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c1-8(14,9(10,11)12)7(17)15-2-3-18-4-5(15)6(13)16/h5H,2-4,14H2,1H3,(H2,13,16)
InChIKeyHWFVZLHTUKDKNB-UHFFFAOYSA-N
MW269.22 g/mol
LogP-1.02
Rot. Bonds2

About 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide

4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide (PubChem CID 83102064) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
PubChem CID83102064
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
SMILESCC(N)(C(=O)N1CCOCC1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H14F3N3O3/c1-8(14,9(10,11)12)7(17)15-2-3-18-4-5(15)6(13)16/h5H,2-4,14H2,1H3,(H2,13,16)
InChIKeyHWFVZLHTUKDKNB-UHFFFAOYSA-N
XLogP-1.02
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(2-carbamothioyl-2-methylbutanoyl)morpholine-3-carboxamide
CID 83101865
4-[2-(tert-butylamino)acetyl]morpholine-3-carboxamide
CID 83093209
2-(3-carbamoylmorpholine-4-carbonyl)-3,3-dimethylbutanoic acid
CID 116537416
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholine-3-carboxamide
CID 83198470
3-(trifluoromethyl)morpholine-4-carboxamide
CID 155634360
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide (CID 83102064) is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide is CC(N)(C(=O)N1CCOCC1C(N)=O)C(F)(F)F.
What is the InChIKey of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide?
The InChIKey is HWFVZLHTUKDKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c1-8(14,9(10,11)12)7(17)15-2-3-18-4-5(15)6(13)16/h5H,2-4,14H2,1H3,(H2,13,16).
What are the key properties of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide?
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide has a molecular weight of 269.22 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83102064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).