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

C17H26N4O3 — CID 18470818

IUPAC2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCC2CCCN2CC2(C)CC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O3/c1-12-8-18-15(16(24)21(12)10-14(22)23)19-9-13-4-3-7-20(13)11-17(2)5-6-17/h8,13H,3-7,9-11H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyLMAUWOYBMFJFSZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.31
Rot. Bonds7

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

2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 18470818) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID18470818
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NCC2CCCN2CC2(C)CC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O3/c1-12-8-18-15(16(24)21(12)10-14(22)23)19-9-13-4-3-7-20(13)11-17(2)5-6-17/h8,13H,3-7,9-11H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyLMAUWOYBMFJFSZ-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 18470818) is 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NCC2CCCN2CC2(C)CC2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is LMAUWOYBMFJFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-8-18-15(16(24)21(12)10-14(22)23)19-9-13-4-3-7-20(13)11-17(2)5-6-17/h8,13H,3-7,9-11H2,1-2H3,(H,18,19)(H,22,23).
What are the key properties of 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-[[1-[(1-methylcyclopropyl)methyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 18470818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).