methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate

C8H8ClN3O3 — CID 103817109

IUPACmethyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN3O3/c1-15-7(13)4-12-8(14)5-2-11-6(9)3-10-5/h2-3H,4H2,1H3,(H,12,14)
InChIKeySMLIRPLALDCABP-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.03
Rot. Bonds3

About methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate

methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate (PubChem CID 103817109) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
PubChem CID103817109
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Namemethyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H8ClN3O3/c1-15-7(13)4-12-8(14)5-2-11-6(9)3-10-5/h2-3H,4H2,1H3,(H,12,14)
InChIKeySMLIRPLALDCABP-UHFFFAOYSA-N
XLogP0.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate (CID 103817109) is methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate?
The InChIKey is SMLIRPLALDCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c1-15-7(13)4-12-8(14)5-2-11-6(9)3-10-5/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate?
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate has a molecular weight of 229.62 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 103817109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).