2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

C14H21N3O4 — CID 134711514

IUPAC2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)O)co1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)17-7-9(5-11(17)18)6-16(4)13-15-10(8-21-13)12(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyVUCJOWJZLJPTKW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.46
Rot. Bonds4

About 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid

2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 134711514) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID134711514
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)O)co1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)17-7-9(5-11(17)18)6-16(4)13-15-10(8-21-13)12(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)
InChIKeyVUCJOWJZLJPTKW-UHFFFAOYSA-N
XLogP1.46
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid (CID 134711514) is 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is CN(CC1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VUCJOWJZLJPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)17-7-9(5-11(17)18)6-16(4)13-15-10(8-21-13)12(19)20/h8-9H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid?
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134711514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).