2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid

C11H15N3O4 — CID 43469877

IUPAC2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-3-4-7(11(17)18)14-10(16)8-5-13-9(15)6-12-8/h5-7H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyMPXCNNDEGKFOJG-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.14
Rot. Bonds6

About 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid

2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid (PubChem CID 43469877) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
PubChem CID43469877
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-3-4-7(11(17)18)14-10(16)8-5-13-9(15)6-12-8/h5-7H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyMPXCNNDEGKFOJG-UHFFFAOYSA-N
XLogP0.14
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Dehydroalanyllysine
CID 129675139
6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
(2R)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788867
(2S)-4-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 28788869
(2R)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789250
(2S)-3-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]butanoic acid
CID 28789252
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789632
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789634
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid (CID 43469877) is 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
The InChIKey is MPXCNNDEGKFOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-3-4-7(11(17)18)14-10(16)8-5-13-9(15)6-12-8/h5-7H,2-4H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid?
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).