2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid

C14H21N3O3 — CID 62940470

IUPAC2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
SMILESCCn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-2-17-9-8-15-12(13(17)18)16-11(14(19)20)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,15,16)(H,19,20)
InChIKeyRPVAEIVDFJTVKH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds5

About 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid

2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid (PubChem CID 62940470) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
PubChem CID62940470
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
SMILESCCn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O
InChIInChI=1S/C14H21N3O3/c1-2-17-9-8-15-12(13(17)18)16-11(14(19)20)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,15,16)(H,19,20)
InChIKeyRPVAEIVDFJTVKH-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid (CID 62940470) is 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid is CCn1ccnc(NC(C(=O)O)C2CCCCC2)c1=O.
What is the InChIKey of 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid?
The InChIKey is RPVAEIVDFJTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-17-9-8-15-12(13(17)18)16-11(14(19)20)10-6-4-3-5-7-10/h8-11H,2-7H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid?
2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 62940470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).