5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid

C10H16N4O4 — CID 68895662

IUPAC5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnc(C(=O)O)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)6(11)7(15)12-4-5-13-14-8(18-5)9(16)17/h6H,4,11H2,1-3H3,(H,12,15)(H,16,17)/t6-/m1/s1
InChIKeyWPNPEIIYTMONRN-ZCFIWIBFSA-N
MW256.26 g/mol
LogP-0.24
Rot. Bonds4

About 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 68895662) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID68895662
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESCC(C)(C)[C@H](N)C(=O)NCc1nnc(C(=O)O)o1
InChIInChI=1S/C10H16N4O4/c1-10(2,3)6(11)7(15)12-4-5-13-14-8(18-5)9(16)17/h6H,4,11H2,1-3H3,(H,12,15)(H,16,17)/t6-/m1/s1
InChIKeyWPNPEIIYTMONRN-ZCFIWIBFSA-N
XLogP-0.24
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 68895662) is 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid is CC(C)(C)[C@H](N)C(=O)NCc1nnc(C(=O)O)o1.
What is the InChIKey of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is WPNPEIIYTMONRN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2,3)6(11)7(15)12-4-5-13-14-8(18-5)9(16)17/h6H,4,11H2,1-3H3,(H,12,15)(H,16,17)/t6-/m1/s1.
What are the key properties of 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 68895662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).