5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid

C11H15N3O4 — CID 103252997

IUPAC5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN1CC(NCc2cc(C(=O)O)no2)CCC1=O
InChIInChI=1S/C11H15N3O4/c1-14-6-7(2-3-10(14)15)12-5-8-4-9(11(16)17)13-18-8/h4,7,12H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyVIPMQQNTKWCZND-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.08
Rot. Bonds4

About 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103252997) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103252997
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN1CC(NCc2cc(C(=O)O)no2)CCC1=O
InChIInChI=1S/C11H15N3O4/c1-14-6-7(2-3-10(14)15)12-5-8-4-9(11(16)17)13-18-8/h4,7,12H,2-3,5-6H2,1H3,(H,16,17)
InChIKeyVIPMQQNTKWCZND-UHFFFAOYSA-N
XLogP0.08
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 104608993
5-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 79832476
ethyl 5-[[[(3S)-1-methyl-6-oxopiperidin-3-yl]amino]methyl]furan-2-carboxylate
CID 97336586
5-[[(2-hydroxycycloheptyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262940
5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246776
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
1-methyl-5-(2-methylprop-2-enylamino)piperidin-2-one
CID 64654537
5-[(4-methoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656120
5-[(1-cyclobutylethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103268286
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
(5R)-5-[(4-bromo-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 95932164
5-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-methylpiperidin-2-one
CID 102836038

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103252997) is 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid is CN1CC(NCc2cc(C(=O)O)no2)CCC1=O.
What is the InChIKey of 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is VIPMQQNTKWCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-14-6-7(2-3-10(14)15)12-5-8-4-9(11(16)17)13-18-8/h4,7,12H,2-3,5-6H2,1H3,(H,16,17).
What are the key properties of 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103252997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).