(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H11F3N2O — CID 61146828

IUPAC(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](N)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(10)5(12)11(2)3-6(7,8)9/h4H,3,10H2,1-2H3/t4-/m0/s1
InChIKeyRCGANOLCVBRLRB-BYPYZUCNSA-N
MW184.16 g/mol
LogP0.35
Rot. Bonds2

About (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61146828) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61146828
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](N)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-4(10)5(12)11(2)3-6(7,8)9/h4H,3,10H2,1-2H3/t4-/m0/s1
InChIKeyRCGANOLCVBRLRB-BYPYZUCNSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890077
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76926837
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350
N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
2-amino-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115152544
[2-aminopropanoyl(methyl)amino]methylboronic acid
CID 76529003
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 61146828) is (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](N)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RCGANOLCVBRLRB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-4(10)5(12)11(2)3-6(7,8)9/h4H,3,10H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 184.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61146828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).