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

C17H26N4O5 — CID 59900629

IUPAC2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O5/c1-11-8-18-14(15(24)21(11)10-13(22)23)19-9-12-6-5-7-20(12)16(25)26-17(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,18,19)(H,22,23)/t12-/m1/s1
InChIKeyXHTDWTGYBUZKOM-GFCCVEGCSA-N
MW366.42 g/mol
LogP1.45
Rot. Bonds5

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

2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (PubChem CID 59900629) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
PubChem CID59900629
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(=O)n1CC(=O)O
InChIInChI=1S/C17H26N4O5/c1-11-8-18-14(15(24)21(11)10-13(22)23)19-9-12-6-5-7-20(12)16(25)26-17(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,18,19)(H,22,23)/t12-/m1/s1
InChIKeyXHTDWTGYBUZKOM-GFCCVEGCSA-N
XLogP1.45
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.45
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-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid (CID 59900629) is 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is XHTDWTGYBUZKOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-11-8-18-14(15(24)21(11)10-13(22)23)19-9-12-6-5-7-20(12)16(25)26-17(2,3)4/h8,12H,5-7,9-10H2,1-4H3,(H,18,19)(H,22,23)/t12-/m1/s1.
What are the key properties of 2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid?
2-[6-methyl-3-[[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 366.42 g/mol, XLogP of 1.45, 5 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-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 59900629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).