methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate

C8H14N2O3 — CID 169193401

IUPACmethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCNC(=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11)
InChIKeyPUFSZANZCKTWEG-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds2

About methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate

methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate (PubChem CID 169193401) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
PubChem CID169193401
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCNC(=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11)
InChIKeyPUFSZANZCKTWEG-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate (CID 169193401) is methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate is COC(=O)C(N)C1CCNC(=O)C1.
What is the InChIKey of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The InChIKey is PUFSZANZCKTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate has a molecular weight of 186.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate is sourced from PubChem (CID 169193401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).