(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

C11H13N3O6 — CID 107820744

IUPAC(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H13N3O6/c1-20-9(16)3-2-6(11(18)19)14-10(17)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,17)(H,18,19)/t6-/m1/s1
InChIKeyHSJBGAOOVHAREE-ZCFIWIBFSA-N
MW283.24 g/mol
LogP-1.09
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (PubChem CID 107820744) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
PubChem CID107820744
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H13N3O6/c1-20-9(16)3-2-6(11(18)19)14-10(17)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,17)(H,18,19)/t6-/m1/s1
InChIKeyHSJBGAOOVHAREE-ZCFIWIBFSA-N
XLogP-1.09
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid (CID 107820744) is (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is COC(=O)CC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
The InChIKey is HSJBGAOOVHAREE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-20-9(16)3-2-6(11(18)19)14-10(17)7-4-13-8(15)5-12-7/h4-6H,2-3H2,1H3,(H,13,15)(H,14,17)(H,18,19)/t6-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid has a molecular weight of 283.24 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107820744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).