(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

C11H21F3N2O — CID 61164133

IUPAC(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-5-6-16(7-11(12,13)14)10(17)9(15)8(2)3/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1
InChIKeyLJLXPYPXQIZGGA-VIFPVBQESA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds6

About (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide

(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61164133) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61164133
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C11H21F3N2O/c1-4-5-6-16(7-11(12,13)14)10(17)9(15)8(2)3/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1
InChIKeyLJLXPYPXQIZGGA-VIFPVBQESA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3-methylbutanamide
CID 79013579
(2S)-2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146661
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
(2S)-2-amino-3,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164894
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61164133) is (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is LJLXPYPXQIZGGA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-5-6-16(7-11(12,13)14)10(17)9(15)8(2)3/h8-9H,4-7,15H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 254.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61164133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).