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

C9H16N2O3 — CID 3455977

IUPACpropan-2-yl 2-(3-oxopiperazin-2-yl)acetate
SMILESCC(C)OC(=O)CC1NCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyDBZNRWHYSVZXHR-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds3

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

propan-2-yl 2-(3-oxopiperazin-2-yl)acetate (PubChem CID 3455977) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is propan-2-yl 2-(3-oxopiperazin-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-oxopiperazin-2-yl)acetate
PubChem CID3455977
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepropan-2-yl 2-(3-oxopiperazin-2-yl)acetate
SMILESCC(C)OC(=O)CC1NCCNC1=O
InChIInChI=1S/C9H16N2O3/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyDBZNRWHYSVZXHR-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
CID 2133505
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
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]butanoic acid
CID 22823990
methyl 2-[(2S)-3,6-dioxopiperazin-2-yl]acetate
CID 53808487
(3R)-3-amino-4-[(3-butoxy-3-oxopropyl)amino]-4-oxobutanoic acid
CID 44369405

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate (CID 3455977) is propan-2-yl 2-(3-oxopiperazin-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate is CC(C)OC(=O)CC1NCCNC1=O.
What is the InChIKey of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate?
The InChIKey is DBZNRWHYSVZXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)14-8(12)5-7-9(13)11-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of propan-2-yl 2-(3-oxopiperazin-2-yl)acetate?
propan-2-yl 2-(3-oxopiperazin-2-yl)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-oxopiperazin-2-yl)acetate is sourced from PubChem (CID 3455977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).