ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate

C15H19N3O4 — CID 7273597

IUPACethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C[C@H]1NCCNC1=O
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)10-5-3-4-6-11(10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOIPAFJCKSWLIMI-GFCCVEGCSA-N
MW305.33 g/mol
LogP0.28
Rot. Bonds5

About ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate

ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate (PubChem CID 7273597) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
PubChem CID7273597
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C[C@H]1NCCNC1=O
InChIInChI=1S/C15H19N3O4/c1-2-22-15(21)10-5-3-4-6-11(10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOIPAFJCKSWLIMI-GFCCVEGCSA-N
XLogP0.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]benzoate
CID 7273598
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
ethyl 2-(propanoylamino)benzoate
CID 4190428
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
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2-(3-oxopiperazin-2-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 6462246
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 110686826
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79854988
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate (CID 7273597) is ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C[C@H]1NCCNC1=O.
What is the InChIKey of ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate?
The InChIKey is OIPAFJCKSWLIMI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-2-22-15(21)10-5-3-4-6-11(10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2R)-3-oxopiperazin-2-yl]acetyl]amino]benzoate is sourced from PubChem (CID 7273597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).