(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide

C14H30N2O2 — CID 143175420

IUPAC(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
SMILESC[C@@H](C(N)=O)C(C)(C)C.C[C@H](C(N)=O)C(C)(C)C
InChIInChI=1S/2C7H15NO/c2*1-5(6(8)9)7(2,3)4/h2*5H,1-4H3,(H2,8,9)/t2*5-/m10/s1
InChIKeyUYQLPDZDQVOYHH-JZLFTLSWSA-N
MW258.41 g/mol
LogP2.31
Rot. Bonds2

About (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide

(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide (PubChem CID 143175420) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
PubChem CID143175420
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
SMILESC[C@@H](C(N)=O)C(C)(C)C.C[C@H](C(N)=O)C(C)(C)C
InChIInChI=1S/2C7H15NO/c2*1-5(6(8)9)7(2,3)4/h2*5H,1-4H3,(H2,8,9)/t2*5-/m10/s1
InChIKeyUYQLPDZDQVOYHH-JZLFTLSWSA-N
XLogP2.31
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide (CID 143175420) is (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide is C[C@@H](C(N)=O)C(C)(C)C.C[C@H](C(N)=O)C(C)(C)C.
What is the InChIKey of (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide?
The InChIKey is UYQLPDZDQVOYHH-JZLFTLSWSA-N. The full InChI is InChI=1S/2C7H15NO/c2*1-5(6(8)9)7(2,3)4/h2*5H,1-4H3,(H2,8,9)/t2*5-/m10/s1.
What are the key properties of (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide?
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide has a molecular weight of 258.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 143175420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).