methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate

C9H16N2O3 — CID 86316765

IUPACmethyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
SMILESCCN1CCN[C@@H](CC(=O)OC)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11-5-4-10-7(9(11)13)6-8(12)14-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRZIYGZCMYSAVLN-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds3

About methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate

methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate (PubChem CID 86316765) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
PubChem CID86316765
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
SMILESCCN1CCN[C@@H](CC(=O)OC)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-11-5-4-10-7(9(11)13)6-8(12)14-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRZIYGZCMYSAVLN-ZETCQYMHSA-N
XLogP-0.63
TPSA58.64 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 ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
CID 110282532
N-cyclopropyl-2-(4-ethyl-3-oxopiperazin-2-yl)acetamide
CID 110282604
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
CID 110283016
methyl 2-[3-[(1-hydroxycyclopentyl)methyl]-2-oxopiperazin-1-yl]acetate
CID 101366968
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110282688
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetamide
CID 110283554
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate (CID 86316765) is methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate is CCN1CCN[C@@H](CC(=O)OC)C1=O.
What is the InChIKey of methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is RZIYGZCMYSAVLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-11-5-4-10-7(9(11)13)6-8(12)14-2/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 86316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).