(2R)-2-tert-butylbutanediamide

C8H16N2O2 — CID 22864144

IUPAC(2R)-2-tert-butylbutanediamide
SMILESCC(C)(C)C(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-8(2,3)5(7(10)12)4-6(9)11/h5H,4H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHOZZIYRTSJTDGL-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds3

About (2R)-2-tert-butylbutanediamide

(2R)-2-tert-butylbutanediamide (PubChem CID 22864144) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2R)-2-tert-butylbutanediamide.

Molecular Properties

Compound Name(2R)-2-tert-butylbutanediamide
PubChem CID22864144
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2R)-2-tert-butylbutanediamide
SMILESCC(C)(C)C(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-8(2,3)5(7(10)12)4-6(9)11/h5H,4H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKeyHOZZIYRTSJTDGL-UHFFFAOYSA-N
XLogP0.01
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylbutanediamide?
The IUPAC name of (2R)-2-tert-butylbutanediamide (CID 22864144) is (2R)-2-tert-butylbutanediamide.
What is the SMILES notation for (2R)-2-tert-butylbutanediamide?
The canonical SMILES for (2R)-2-tert-butylbutanediamide is CC(C)(C)C(CC(N)=O)C(N)=O.
What is the InChIKey of (2R)-2-tert-butylbutanediamide?
The InChIKey is HOZZIYRTSJTDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)5(7(10)12)4-6(9)11/h5H,4H2,1-3H3,(H2,9,11)(H2,10,12).
What are the key properties of (2R)-2-tert-butylbutanediamide?
(2R)-2-tert-butylbutanediamide has a molecular weight of 172.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylbutanediamide is sourced from PubChem (CID 22864144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).