4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid

C9H15N3O5 — CID 69366901

IUPAC4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid
SMILESCNC(=O)COC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15N3O5/c1-10-7(13)6-17-9(16)12-4-2-11(3-5-12)8(14)15/h2-6H2,1H3,(H,10,13)(H,14,15)
InChIKeyFYWWPTJCBFFKCL-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.84
Rot. Bonds2

About 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid

4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid (PubChem CID 69366901) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid
PubChem CID69366901
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid
SMILESCNC(=O)COC(=O)N1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15N3O5/c1-10-7(13)6-17-9(16)12-4-2-11(3-5-12)8(14)15/h2-6H2,1H3,(H,10,13)(H,14,15)
InChIKeyFYWWPTJCBFFKCL-UHFFFAOYSA-N
XLogP-0.84
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
[2-(methylamino)-2-oxoethyl] 4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 69364898
ethyl 4-[2-(methylamino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108526200
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
[2-(methylamino)-2-oxoethyl] 4-[3-(2-chlorophenoxy)propyl]piperazine-1-carboxylate
CID 67305101
[2-(methoxymethylamino)-2-oxoethyl] azetidine-1-carboxylate
CID 169224077
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
CID 71118297
[2-(methylamino)-2-oxoethyl] 4-hydroxy-4-(4-phenylimidazol-1-yl)piperidine-1-carboxylate
CID 11772735
2-[2-(methylamino)-2-oxoethoxy]piperidine-1-carboxylic acid
CID 56995955

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid (CID 69366901) is 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid is CNC(=O)COC(=O)N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid?
The InChIKey is FYWWPTJCBFFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c1-10-7(13)6-17-9(16)12-4-2-11(3-5-12)8(14)15/h2-6H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid?
4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-oxoethoxy]carbonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 69366901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).