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

C9H17F3N2O — CID 61147617

IUPAC(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C9H17F3N2O/c1-6(2)4-14(5-9(10,11)12)8(15)7(3)13/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1
InChIKeyQBINIOCQWWVLKD-ZETCQYMHSA-N
MW226.24 g/mol
LogP1.38
Rot. Bonds4

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

(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61147617) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61147617
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)[C@H](C)N
InChIInChI=1S/C9H17F3N2O/c1-6(2)4-14(5-9(10,11)12)8(15)7(3)13/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1
InChIKeyQBINIOCQWWVLKD-ZETCQYMHSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 61147617) is (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QBINIOCQWWVLKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)4-14(5-9(10,11)12)8(15)7(3)13/h6-7H,4-5,13H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61147617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).