ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate

C11H15N3O3 — CID 114571207

IUPACethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncc[nH]c1=O)C1CC1
InChIInChI=1S/C11H15N3O3/c1-2-17-9(15)7-14(8-3-4-8)10-11(16)13-6-5-12-10/h5-6,8H,2-4,7H2,1H3,(H,13,16)
InChIKeyLNVUNBXEZVVCJX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.30
Rot. Bonds5

About ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate

ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate (PubChem CID 114571207) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
PubChem CID114571207
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncc[nH]c1=O)C1CC1
InChIInChI=1S/C11H15N3O3/c1-2-17-9(15)7-14(8-3-4-8)10-11(16)13-6-5-12-10/h5-6,8H,2-4,7H2,1H3,(H,13,16)
InChIKeyLNVUNBXEZVVCJX-UHFFFAOYSA-N
XLogP0.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate (CID 114571207) is ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate is CCOC(=O)CN(c1ncc[nH]c1=O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate?
The InChIKey is LNVUNBXEZVVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-9(15)7-14(8-3-4-8)10-11(16)13-6-5-12-10/h5-6,8H,2-4,7H2,1H3,(H,13,16).
What are the key properties of ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate?
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate is sourced from PubChem (CID 114571207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).