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

C7H11F3N2O — CID 106213284

IUPAC(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESC[C@H](N)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-4(11)5(13)12-6(2-3-6)7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyARPXKWQDHYNISY-BYPYZUCNSA-N
MW196.17 g/mol
LogP0.54
Rot. Bonds2

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

(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 106213284) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID106213284
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESC[C@H](N)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-4(11)5(13)12-6(2-3-6)7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13)/t4-/m0/s1
InChIKeyARPXKWQDHYNISY-BYPYZUCNSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106213496
3-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213280
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 176873148
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 106213349
N-carbamoyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212536
N-methyl-2-[[1-(trifluoromethyl)cyclopropyl]amino]propanamide
CID 106212233
2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 110478898
(2S)-2-amino-N-(1-ethylcyclopropyl)propanamide
CID 131186061
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
CID 106213334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 106213284) is (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide is C[C@H](N)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is ARPXKWQDHYNISY-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-4(11)5(13)12-6(2-3-6)7(8,9)10/h4H,2-3,11H2,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide?
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 196.17 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 106213284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).