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

C7H12N4O3 — CID 107433351

IUPACN-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
SMILESNC(=O)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C7H12N4O3/c8-5(12)2-11-7(14)4-1-10-6(13)3-9-4/h4,9H,1-3H2,(H2,8,12)(H,10,13)(H,11,14)
InChIKeyVZXZMJYENGHVPZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-3.32
Rot. Bonds3

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

N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107433351) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
PubChem CID107433351
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameN-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
SMILESNC(=O)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C7H12N4O3/c8-5(12)2-11-7(14)4-1-10-6(13)3-9-4/h4,9H,1-3H2,(H2,8,12)(H,10,13)(H,11,14)
InChIKeyVZXZMJYENGHVPZ-UHFFFAOYSA-N
XLogP-3.32
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-3.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107435545
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
CID 107436041
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-oxopiperazine-2-carboxamide
CID 114164742
1-[[(5-oxopiperazine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107437337
N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
CID 106134338
5-oxo-N-(2-pyrrol-1-ylethyl)piperazine-2-carboxamide
CID 106390933
5-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2-carboxamide
CID 106428188

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide (CID 107433351) is N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide is NC(=O)CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is VZXZMJYENGHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c8-5(12)2-11-7(14)4-1-10-6(13)3-9-4/h4,9H,1-3H2,(H2,8,12)(H,10,13)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 200.20 g/mol, XLogP of -3.32, 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-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).