N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide

C8H16N4O2 — CID 63102938

IUPACN-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCC(N)=O)CN1
InChIInChI=1S/C8H16N4O2/c1-5-2-11-6(3-10-5)8(14)12-4-7(9)13/h5-6,10-11H,2-4H2,1H3,(H2,9,13)(H,12,14)
InChIKeyUYPBHVUJRCAIRS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-2.46
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide

N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide (PubChem CID 63102938) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
PubChem CID63102938
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)NCC(N)=O)CN1
InChIInChI=1S/C8H16N4O2/c1-5-2-11-6(3-10-5)8(14)12-4-7(9)13/h5-6,10-11H,2-4H2,1H3,(H2,9,13)(H,12,14)
InChIKeyUYPBHVUJRCAIRS-UHFFFAOYSA-N
XLogP-2.46
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
CID 112738250
(2R)-N-(2-amino-2-oxoethyl)azetidine-2-carboxamide;hydrochloride
CID 130742026
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
N-(3-cyclopentylpropyl)-5-methylpiperazine-2-carboxamide
CID 114137524
5-methyl-N-(oxolan-2-ylmethyl)piperazine-2-carboxamide
CID 63102749
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide
CID 63103311
5-methyl-N-[2-(oxolan-2-yl)ethyl]piperazine-2-carboxamide
CID 63103322
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide (CID 63102938) is N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide is CC1CNC(C(=O)NCC(N)=O)CN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide?
The InChIKey is UYPBHVUJRCAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5-2-11-6(3-10-5)8(14)12-4-7(9)13/h5-6,10-11H,2-4H2,1H3,(H2,9,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 63102938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).