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

C16H26N4O3 — CID 59900536

IUPAC2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2CC(C)C)c(=O)n1CC(=O)O
InChIInChI=1S/C16H26N4O3/c1-11(2)9-19-6-4-5-13(19)8-18-15-16(23)20(10-14(21)22)12(3)7-17-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)(H,21,22)/t13-/m1/s1
InChIKeyGTVUSRDUFUCHQO-CYBMUJFWSA-N
MW322.41 g/mol
LogP1.17
Rot. Bonds7

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

2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 59900536) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID59900536
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2CC(C)C)c(=O)n1CC(=O)O
InChIInChI=1S/C16H26N4O3/c1-11(2)9-19-6-4-5-13(19)8-18-15-16(23)20(10-14(21)22)12(3)7-17-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)(H,21,22)/t13-/m1/s1
InChIKeyGTVUSRDUFUCHQO-CYBMUJFWSA-N
XLogP1.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.17
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-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 59900536) is 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NC[C@H]2CCCN2CC(C)C)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is GTVUSRDUFUCHQO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)9-19-6-4-5-13(19)8-18-15-16(23)20(10-14(21)22)12(3)7-17-15/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,18)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 322.41 g/mol, XLogP of 1.17, 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-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 59900536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).