(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide

C9H16N4O2 — CID 67533451

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnco1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)7(10)8(14)11-4-6-13-12-5-15-6/h5,7H,4,10H2,1-3H3,(H,11,14)/t7-/m1/s1
InChIKeyKMLXXGITJYAIGO-SSDOTTSWSA-N
MW212.25 g/mol
LogP0.06
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide (PubChem CID 67533451) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide
PubChem CID67533451
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnco1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)7(10)8(14)11-4-6-13-12-5-15-6/h5,7H,4,10H2,1-3H3,(H,11,14)/t7-/m1/s1
InChIKeyKMLXXGITJYAIGO-SSDOTTSWSA-N
XLogP0.06
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide (CID 67533451) is (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide is CC(C)(C)[C@H](N)C(=O)NCc1nnco1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide?
The InChIKey is KMLXXGITJYAIGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,3)7(10)8(14)11-4-6-13-12-5-15-6/h5,7H,4,10H2,1-3H3,(H,11,14)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide has a molecular weight of 212.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(1,3,4-oxadiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 67533451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).