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

C17H26N4O3 — CID 59900478

IUPAC2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C2CCCC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O3/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-7-4-8-20(14)13-5-2-3-6-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1
InChIKeyWKWCQISHNIPVSO-CQSZACIVSA-N
MW334.42 g/mol
LogP1.46
Rot. Bonds6

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

2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (PubChem CID 59900478) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
PubChem CID59900478
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C2CCCC2)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O3/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-7-4-8-20(14)13-5-2-3-6-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1
InChIKeyWKWCQISHNIPVSO-CQSZACIVSA-N
XLogP1.46
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (CID 59900478) is 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NC[C@H]2CCCN2C2CCCC2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is WKWCQISHNIPVSO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-9-18-16(17(24)21(12)11-15(22)23)19-10-14-7-4-8-20(14)13-5-2-3-6-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,19)(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-1-cyclopentylpyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 59900478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).