ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate

C12H19N3O4 — CID 107435393

IUPACethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CNC(=O)CN1)C1CC1
InChIInChI=1S/C12H19N3O4/c1-2-19-11(17)7-15(8-3-4-8)12(18)9-5-14-10(16)6-13-9/h8-9,13H,2-7H2,1H3,(H,14,16)
InChIKeyWWNAHTSLGNXQOV-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.37
Rot. Bonds5

About ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate

ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate (PubChem CID 107435393) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
PubChem CID107435393
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CNC(=O)CN1)C1CC1
InChIInChI=1S/C12H19N3O4/c1-2-19-11(17)7-15(8-3-4-8)12(18)9-5-14-10(16)6-13-9/h8-9,13H,2-7H2,1H3,(H,14,16)
InChIKeyWWNAHTSLGNXQOV-UHFFFAOYSA-N
XLogP-1.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107435593
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435385
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
CID 76894982
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107435078
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate (CID 107435393) is ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)C1CNC(=O)CN1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate?
The InChIKey is WWNAHTSLGNXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-19-11(17)7-15(8-3-4-8)12(18)9-5-14-10(16)6-13-9/h8-9,13H,2-7H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate?
ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate has a molecular weight of 269.30 g/mol, XLogP of -1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 107435393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).