1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid

C10H18N2O4 — CID 83990036

IUPAC1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(CC(=O)OC)C1
InChIInChI=1S/C10H18N2O4/c1-11-8-3-7(10(14)15)4-12(5-8)6-9(13)16-2/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyYQZVKEUSTXCZRD-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.85
Rot. Bonds4

About 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid

1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid (PubChem CID 83990036) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
PubChem CID83990036
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
SMILESCNC1CC(C(=O)O)CN(CC(=O)OC)C1
InChIInChI=1S/C10H18N2O4/c1-11-8-3-7(10(14)15)4-12(5-8)6-9(13)16-2/h7-8,11H,3-6H2,1-2H3,(H,14,15)
InChIKeyYQZVKEUSTXCZRD-UHFFFAOYSA-N
XLogP-0.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
methyl 2-[3-(ethylamino)-5-methylpiperidin-1-yl]acetate
CID 83990662
1-(carboxymethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995388
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
methyl 2-(2,6-dimethylmorpholin-4-yl)acetate
CID 22198251
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid (CID 83990036) is 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid is CNC1CC(C(=O)O)CN(CC(=O)OC)C1.
What is the InChIKey of 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid?
The InChIKey is YQZVKEUSTXCZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-8-3-7(10(14)15)4-12(5-8)6-9(13)16-2/h7-8,11H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid?
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).