6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid

C11H16N4O3 — CID 19080806

IUPAC6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid
SMILESNCCCCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-4-2-1-3-8(11(17)18)15-10(16)9-7-13-5-6-14-9/h5-8H,1-4,12H2,(H,15,16)(H,17,18)
InChIKeyMSLPAHHDEJZAFL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.21
Rot. Bonds7

About 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid

6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid (PubChem CID 19080806) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid
PubChem CID19080806
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid
SMILESNCCCCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c12-4-2-1-3-8(11(17)18)15-10(16)9-7-13-5-6-14-9/h5-8H,1-4,12H2,(H,15,16)(H,17,18)
InChIKeyMSLPAHHDEJZAFL-UHFFFAOYSA-N
XLogP-0.21
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid (CID 19080806) is 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid is NCCCCC(NC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid?
The InChIKey is MSLPAHHDEJZAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-4-2-1-3-8(11(17)18)15-10(16)9-7-13-5-6-14-9/h5-8H,1-4,12H2,(H,15,16)(H,17,18).
What are the key properties of 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid?
6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(pyrazine-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 19080806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).