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

C8H13F3N2O2 — CID 106213280

IUPAC3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCOC(CN)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c1-15-5(4-12)6(14)13-7(2-3-7)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyPPFDKDRGKYCJED-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.17
Rot. Bonds4

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

3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106213280) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106213280
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCOC(CN)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c1-15-5(4-12)6(14)13-7(2-3-7)8(9,10)11/h5H,2-4,12H2,1H3,(H,13,14)
InChIKeyPPFDKDRGKYCJED-UHFFFAOYSA-N
XLogP0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291651
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
3-amino-N-tert-butyl-2-methoxypropanamide
CID 106110957
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106213496
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
3-amino-2-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]propanamide
CID 106114336
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 106213349
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
CID 106213334

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106213280) is 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide is COC(CN)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is PPFDKDRGKYCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-15-5(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-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 226.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106213280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).