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

C12H23F3N2O — CID 61164326

IUPAC(2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H23F3N2O/c1-5-6-7-17(8-12(13,14)15)10(18)9(16)11(2,3)4/h9H,5-8,16H2,1-4H3/t9-/m1/s1
InChIKeyDCPUVYPXDGVPBT-SECBINFHSA-N
MW268.32 g/mol
LogP2.55
Rot. Bonds5

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

(2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 61164326) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID61164326
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name(2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H23F3N2O/c1-5-6-7-17(8-12(13,14)15)10(18)9(16)11(2,3)4/h9H,5-8,16H2,1-4H3/t9-/m1/s1
InChIKeyDCPUVYPXDGVPBT-SECBINFHSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.55
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-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 61164326) is (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CCCCN(CC(F)(F)F)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DCPUVYPXDGVPBT-SECBINFHSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-5-6-7-17(8-12(13,14)15)10(18)9(16)11(2,3)4/h9H,5-8,16H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
(2S)-2-amino-N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 268.32 g/mol, XLogP of 2.55, 5 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-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 61164326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).