methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate

C13H21N3O3 — CID 62929048

IUPACmethyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
SMILESCCCn1ccnc(N(CC(=O)OC)C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-7-15-8-6-14-12(13(15)18)16(10(2)3)9-11(17)19-4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyOFSKZFIMEZAUAS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.04
Rot. Bonds6

About methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate

methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate (PubChem CID 62929048) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
PubChem CID62929048
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
SMILESCCCn1ccnc(N(CC(=O)OC)C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-7-15-8-6-14-12(13(15)18)16(10(2)3)9-11(17)19-4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyOFSKZFIMEZAUAS-UHFFFAOYSA-N
XLogP1.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate (CID 62929048) is methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate is CCCn1ccnc(N(CC(=O)OC)C(C)C)c1=O.
What is the InChIKey of methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate?
The InChIKey is OFSKZFIMEZAUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-15-8-6-14-12(13(15)18)16(10(2)3)9-11(17)19-4/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate?
methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate has a molecular weight of 267.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62929048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).