2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid

C17H26N4O4 — CID 59900617

IUPAC2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C2CCOCC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O4/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-3-2-6-20(14)13-4-7-25-8-5-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1
InChIKeyQCXWADLEAZMINZ-CQSZACIVSA-N
MW350.42 g/mol
LogP0.69
Rot. Bonds6

About 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid

2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 59900617) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID59900617
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C2CCOCC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O4/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-3-2-6-20(14)13-4-7-25-8-5-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1
InChIKeyQCXWADLEAZMINZ-CQSZACIVSA-N
XLogP0.69
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 59900617) is 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NC[C@H]2CCCN2C2CCOCC2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is QCXWADLEAZMINZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-3-2-6-20(14)13-4-7-25-8-5-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 59900617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).