(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide

C9H17F3N2O — CID 104903471

IUPAC(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyKACGCDNIASFXEI-SSDOTTSWSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide

(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 104903471) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID104903471
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyKACGCDNIASFXEI-SSDOTTSWSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
CID 104903880
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide (CID 104903471) is (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide is CC(C)C[C@@H](N)C(=O)NCCC(F)(F)F.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is KACGCDNIASFXEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 104903471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).