ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate

C12H17N3O3 — CID 54901193

IUPACethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnccn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-4-18-11(16)8-15(9(2)3)12(17)10-7-13-5-6-14-10/h5-7,9H,4,8H2,1-3H3
InChIKeyAIRALNUYLWXXDJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.89
Rot. Bonds5

About ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate

ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate (PubChem CID 54901193) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
PubChem CID54901193
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1cnccn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-4-18-11(16)8-15(9(2)3)12(17)10-7-13-5-6-14-10/h5-7,9H,4,8H2,1-3H3
InChIKeyAIRALNUYLWXXDJ-UHFFFAOYSA-N
XLogP0.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
2-[butan-2-yl(pyrazine-2-carbonyl)amino]acetic acid
CID 54925819
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
CID 54896874
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 81315778
N-(2-methoxyethyl)-N-pentan-3-ylpyrazine-2-carboxamide
CID 56812386
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate (CID 54901193) is ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1cnccn1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate?
The InChIKey is AIRALNUYLWXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-18-11(16)8-15(9(2)3)12(17)10-7-13-5-6-14-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate?
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 54901193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).