methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate

C14H23N3O3 — CID 62927824

IUPACmethyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H23N3O3/c1-5-7-16(10-12(18)20-4)13-14(19)17(8-6-15-13)9-11(2)3/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyAQAFWQKNVVYOIV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.29
Rot. Bonds7

About methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate

methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate (PubChem CID 62927824) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate
PubChem CID62927824
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nccn(CC(C)C)c1=O
InChIInChI=1S/C14H23N3O3/c1-5-7-16(10-12(18)20-4)13-14(19)17(8-6-15-13)9-11(2)3/h6,8,11H,5,7,9-10H2,1-4H3
InChIKeyAQAFWQKNVVYOIV-UHFFFAOYSA-N
XLogP1.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
CID 62929048
3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928195
3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
CID 62938750
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 62940465
2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 79268738
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
CID 62939610
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
CID 80673737
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate?
The IUPAC name of methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate (CID 62927824) is methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate is CCCN(CC(=O)OC)c1nccn(CC(C)C)c1=O.
What is the InChIKey of methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate?
The InChIKey is AQAFWQKNVVYOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-7-16(10-12(18)20-4)13-14(19)17(8-6-15-13)9-11(2)3/h6,8,11H,5,7,9-10H2,1-4H3.
What are the key properties of methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate?
methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate has a molecular weight of 281.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propylamino]acetate is sourced from PubChem (CID 62927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).