methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate

C9H16N2O3 — CID 1490557

IUPACmethyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)7-2-4-11(5-3-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyXPQDBQJKBUSNPT-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.64
Rot. Bonds3

About methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate

methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate (PubChem CID 1490557) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate
PubChem CID1490557
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(N)=O)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)7-2-4-11(5-3-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyXPQDBQJKBUSNPT-UHFFFAOYSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate (CID 1490557) is methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CC(N)=O)CC1.
What is the InChIKey of methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate?
The InChIKey is XPQDBQJKBUSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)7-2-4-11(5-3-7)6-8(10)12/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate?
methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-oxoethyl)piperidine-4-carboxylate is sourced from PubChem (CID 1490557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).