2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid

C10H15N3O4 — CID 65302481

IUPAC2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
SMILESCc1noc(CNC(=O)CC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-6-12-8(17-13-6)5-11-7(14)4-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyPUZKNKYZBWEUMA-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.50
Rot. Bonds5

About 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid (PubChem CID 65302481) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
PubChem CID65302481
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
SMILESCc1noc(CNC(=O)CC(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-6-12-8(17-13-6)5-11-7(14)4-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyPUZKNKYZBWEUMA-UHFFFAOYSA-N
XLogP0.50
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106419385
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
2-(cyclopropylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 61014873
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]hexanamide
CID 61013892
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2,3-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 103497932
5-amino-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 82012629
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617029
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
2-cyano-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 114291364
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701479

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid (CID 65302481) is 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid is Cc1noc(CNC(=O)CC(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid?
The InChIKey is PUZKNKYZBWEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-12-8(17-13-6)5-11-7(14)4-10(2,3)9(15)16/h4-5H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 65302481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).