2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid

C11H17N3O3 — CID 62939086

IUPAC2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
SMILESCCCn1ccnc(N(CC)CC(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-10(11(14)17)13(4-2)8-9(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyREOFQPLAAYJZJH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.56
Rot. Bonds6

About 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid

2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid (PubChem CID 62939086) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
PubChem CID62939086
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
SMILESCCCn1ccnc(N(CC)CC(=O)O)c1=O
InChIInChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-10(11(14)17)13(4-2)8-9(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyREOFQPLAAYJZJH-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
2-[(4-tert-butyl-3-oxopyrazin-2-yl)-propylamino]acetic acid
CID 62939610
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
methyl 2-[(3-oxo-4-propylpyrazin-2-yl)-propan-2-ylamino]acetate
CID 62929048
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 62940465
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
CID 62927325
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
CID 102868566
2-[1-(3-oxo-4-propylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64618257

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid (CID 62939086) is 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid is CCCn1ccnc(N(CC)CC(=O)O)c1=O.
What is the InChIKey of 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The InChIKey is REOFQPLAAYJZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-6-14-7-5-12-10(11(14)17)13(4-2)8-9(15)16/h5,7H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 62939086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).