3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

C8H13F3N2O — CID 106213177

IUPAC3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(CN)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-5(4-12)6(14)13-7(2-3-7)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyGVHFEILRRQQEEP-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide

3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106213177) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106213177
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCC(CN)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-5(4-12)6(14)13-7(2-3-7)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyGVHFEILRRQQEEP-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213280
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
CID 106213334
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106213496
2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
CID 106216273
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 106213349
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212536
N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212233

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106213177) is 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is CC(CN)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is GVHFEILRRQQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5(4-12)6(14)13-7(2-3-7)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 210.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106213177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).