methyl 2-(3-oxopiperazin-2-yl)acetate

C7H12N2O3 — CID 2998378

IUPACmethyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C7H12N2O3/c1-12-6(10)4-5-7(11)9-3-2-8-5/h5,8H,2-4H2,1H3,(H,9,11)
InChIKeyIPEHBEGTVNYMPV-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.36
Rot. Bonds2

About methyl 2-(3-oxopiperazin-2-yl)acetate

methyl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 2998378) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID2998378
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethyl 2-(3-oxopiperazin-2-yl)acetate
SMILESCOC(=O)CC1NCCNC1=O
InChIInChI=1S/C7H12N2O3/c1-12-6(10)4-5-7(11)9-3-2-8-5/h5,8H,2-4H2,1H3,(H,9,11)
InChIKeyIPEHBEGTVNYMPV-UHFFFAOYSA-N
XLogP-1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
2-(1-Methyl-3-oxopiperazin-2-yl)acetic acid
CID 653824
Aspartyl-alanyl-diketopiperazine
CID 9815453
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
(S)-3-Amino-N-((S)-1-carbamoyl-ethyl)-succinamic acid
CID 44398529
(3S)-3-carbamoyl-3-acetamidopropanoic acid
CID 7019845
methyl 2-[(2S)-3,6-dioxopiperazin-2-yl]acetate
CID 53808487

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of methyl 2-(3-oxopiperazin-2-yl)acetate (CID 2998378) is methyl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for methyl 2-(3-oxopiperazin-2-yl)acetate is COC(=O)CC1NCCNC1=O.
What is the InChIKey of methyl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is IPEHBEGTVNYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-6(10)4-5-7(11)9-3-2-8-5/h5,8H,2-4H2,1H3,(H,9,11).
What are the key properties of methyl 2-(3-oxopiperazin-2-yl)acetate?
methyl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 172.18 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 2998378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).