1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 62938734

IUPAC1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ccnc(NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(2)17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyUXQGFSPZWIOSKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds4

About 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62938734) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID62938734
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)n1ccnc(NC2(C(=O)O)CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-10(2)17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyUXQGFSPZWIOSKW-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 62938734) is 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is CC(C)n1ccnc(NC2(C(=O)O)CCCCC2)c1=O.
What is the InChIKey of 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UXQGFSPZWIOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)17-9-8-15-11(12(17)18)16-14(13(19)20)6-4-3-5-7-14/h8-10H,3-7H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62938734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).