methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate

C11H14ClN3O3 — CID 103817201

IUPACmethyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-3-15(5-4-10(16)18-2)11(17)8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3
InChIKeyYMVBMMUAXSXKPH-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.16
Rot. Bonds5

About methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate

methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate (PubChem CID 103817201) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
PubChem CID103817201
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Namemethyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H14ClN3O3/c1-3-15(5-4-10(16)18-2)11(17)8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3
InChIKeyYMVBMMUAXSXKPH-UHFFFAOYSA-N
XLogP1.16
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
methyl 3-[(5-chloropyrazin-2-yl)methyl-ethylamino]propanoate
CID 103055309
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
CID 107236595
5-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 107372183
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
CID 107244907
methyl 3-[methyl-(5-methylpyrazine-2-carbonyl)amino]propanoate
CID 54980123
methyl 3-[(3-chloro-5-methylbenzoyl)-ethylamino]propanoate
CID 80973104
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate?
The IUPAC name of methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate (CID 103817201) is methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate?
The canonical SMILES for methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate is CCN(CCC(=O)OC)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate?
The InChIKey is YMVBMMUAXSXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-15(5-4-10(16)18-2)11(17)8-6-14-9(12)7-13-8/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate?
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate has a molecular weight of 271.70 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate is sourced from PubChem (CID 103817201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).