methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate

C11H15N3O3 — CID 62938795

IUPACmethyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17-2)13-9-10(15)14(6-5-12-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyBNONHAHBPZWKMH-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate

methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate (PubChem CID 62938795) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate
PubChem CID62938795
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17-2)13-9-10(15)14(6-5-12-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,12,13)
InChIKeyBNONHAHBPZWKMH-UHFFFAOYSA-N
XLogP0.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62939909
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938370
1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one
CID 62940516
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 114211768
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one
CID 62940942
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 113356058
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 115917308
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651
1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
CID 83144354
1-cyclopropyl-3-(2-ethoxypropylamino)pyrazin-2-one
CID 113353757
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62940892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate (CID 62938795) is methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate is COC(=O)C(C)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate?
The InChIKey is BNONHAHBPZWKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(11(16)17-2)13-9-10(15)14(6-5-12-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate?
methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate has a molecular weight of 237.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate is sourced from PubChem (CID 62938795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).